propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate

C19H33N3O4 — CID 22958411

IUPACpropan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate
SMILESCC(C)OC(=O)CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C19H33N3O4/c1-13(2)26-17(23)12-21-15(11-14-7-4-3-5-8-14)19(25)22-10-6-9-16(22)18(20)24/h13-16,21H,3-12H2,1-2H3,(H2,20,24)/t15-,16+/m1/s1
InChIKeyOYQAKUDBNSPDQV-CVEARBPZSA-N
MW367.49 g/mol
LogP1.34
Rot. Bonds8

About propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate

propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate (PubChem CID 22958411) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate
PubChem CID22958411
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Namepropan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate
SMILESCC(C)OC(=O)CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C19H33N3O4/c1-13(2)26-17(23)12-21-15(11-14-7-4-3-5-8-14)19(25)22-10-6-9-16(22)18(20)24/h13-16,21H,3-12H2,1-2H3,(H2,20,24)/t15-,16+/m1/s1
InChIKeyOYQAKUDBNSPDQV-CVEARBPZSA-N
XLogP1.34
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate with MolForge

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Related Compounds

2-methylpropyl N-[(2S)-1-[(2S)-2-({1-[({[(S)-carbamoyl(cyclohexyl)methyl]carbamoyl}methyl)carbamoyl]-1-oxopentan-2-yl}carbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 6481500
methyl N-[(4-methylcyclohexyl)carbonyl]isoleucylvalinate
CID 3242508
ethyl N-[(4-methylcyclohexyl)carbonyl]isoleucylglycinate
CID 3245408
Proline scaffold, 11
CID 42618109
Proline scaffold, 31
CID 42618128
N-{[trans-4-({[1-(tert-butoxycarbonyl)-L-prolyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine
CID 7094857
ethyl N-[(4-ethylcyclohexyl)carbonyl]valylalaninate
CID 3236211
methyl N-[(4-methylcyclohexyl)carbonyl]leucylvalinate
CID 9550205
ethyl N-(cyclohexylcarbonyl)leucylglycinate
CID 9551490
methyl N-[(4-methylcyclohexyl)carbonyl]valylvalinate
CID 16188547
Xentrivalpeptide M
CID 71620037
(2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide
CID 75411411

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate (CID 22958411) is propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate is CC(C)OC(=O)CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate?
The InChIKey is OYQAKUDBNSPDQV-CVEARBPZSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-13(2)26-17(23)12-21-15(11-14-7-4-3-5-8-14)19(25)22-10-6-9-16(22)18(20)24/h13-16,21H,3-12H2,1-2H3,(H2,20,24)/t15-,16+/m1/s1.
What are the key properties of propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate?
propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate has a molecular weight of 367.49 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate is sourced from PubChem (CID 22958411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).