formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide

C20H31N5O6 — CID 155971982

IUPACformic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide
SMILESCn1ccnc1CCNC(=O)[C@H]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1.O=CO
InChIInChI=1S/C19H29N5O4.CH2O2/c1-23-10-8-20-16(23)6-7-21-19(28)13-4-5-14(15(25)11-13)22-17(26)12-24-9-2-3-18(24)27;2-1-3/h8,10,13-15,25H,2-7,9,11-12H2,1H3,(H,21,28)(H,22,26);1H,(H,2,3)/t13-,14+,15+;/m0./s1
InChIKeyKEXUFSYUCAZLCP-ONAKXNSWSA-N
MW437.50 g/mol
LogP-0.95
Rot. Bonds7

About formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide

formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 155971982) has the molecular formula C20H31N5O6 and a molecular weight of 437.50 g/mol. Its IUPAC name is formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nameformic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide
PubChem CID155971982
Molecular FormulaC20H31N5O6
Molecular Weight437.50 g/mol
Exact Mass437.23
IUPAC Nameformic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide
SMILESCn1ccnc1CCNC(=O)[C@H]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1.O=CO
InChIInChI=1S/C19H29N5O4.CH2O2/c1-23-10-8-20-16(23)6-7-21-19(28)13-4-5-14(15(25)11-13)22-17(26)12-24-9-2-3-18(24)27;2-1-3/h8,10,13-15,25H,2-7,9,11-12H2,1H3,(H,21,28)(H,22,26);1H,(H,2,3)/t13-,14+,15+;/m0./s1
InChIKeyKEXUFSYUCAZLCP-ONAKXNSWSA-N
XLogP-0.95
TPSA153.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007268
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817
(2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 97216449
(1S,3R,4R)-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-[(2-piperidin-1-ylacetyl)amino]cyclopentane-1-carboxamide
CID 163318940
(2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97218671
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 91834859
2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 86791142
formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide
CID 155972962
formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide
CID 171339105
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
CID 61212990
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958

Frequently Asked Questions

What is the IUPAC name of formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide (CID 155971982) is formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide is Cn1ccnc1CCNC(=O)[C@H]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1.O=CO.
What is the InChIKey of formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is KEXUFSYUCAZLCP-ONAKXNSWSA-N. The full InChI is InChI=1S/C19H29N5O4.CH2O2/c1-23-10-8-20-16(23)6-7-21-19(28)13-4-5-14(15(25)11-13)22-17(26)12-24-9-2-3-18(24)27;2-1-3/h8,10,13-15,25H,2-7,9,11-12H2,1H3,(H,21,28)(H,22,26);1H,(H,2,3)/t13-,14+,15+;/m0./s1.
What are the key properties of formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide?
formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 437.50 g/mol, XLogP of -0.95, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 155971982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).