acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide

C19H27N3O5 — CID 155938523

IUPACacetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCC(=O)O.COc1ccc2[nH]c(CNC(=O)[C@H]3CC[C@@H](O)[C@H](N)C3)cc2c1
InChIInChI=1S/C17H23N3O3.C2H4O2/c1-23-13-3-4-15-11(7-13)6-12(20-15)9-19-17(22)10-2-5-16(21)14(18)8-10;1-2(3)4/h3-4,6-7,10,14,16,20-21H,2,5,8-9,18H2,1H3,(H,19,22);1H3,(H,3,4)/t10-,14+,16+;/m0./s1
InChIKeyMRSFUCCBVMMEIS-XTIGFHRZSA-N
MW377.44 g/mol
LogP1.37
Rot. Bonds4

About acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide

acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 155938523) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nameacetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID155938523
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Nameacetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCC(=O)O.COc1ccc2[nH]c(CNC(=O)[C@H]3CC[C@@H](O)[C@H](N)C3)cc2c1
InChIInChI=1S/C17H23N3O3.C2H4O2/c1-23-13-3-4-15-11(7-13)6-12(20-15)9-19-17(22)10-2-5-16(21)14(18)8-10;1-2(3)4/h3-4,6-7,10,14,16,20-21H,2,5,8-9,18H2,1H3,(H,19,22);1H3,(H,3,4)/t10-,14+,16+;/m0./s1
InChIKeyMRSFUCCBVMMEIS-XTIGFHRZSA-N
XLogP1.37
TPSA137.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide (CID 155938523) is acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide is CC(=O)O.COc1ccc2[nH]c(CNC(=O)[C@H]3CC[C@@H](O)[C@H](N)C3)cc2c1.
What is the InChIKey of acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is MRSFUCCBVMMEIS-XTIGFHRZSA-N. The full InChI is InChI=1S/C17H23N3O3.C2H4O2/c1-23-13-3-4-15-11(7-13)6-12(20-15)9-19-17(22)10-2-5-16(21)14(18)8-10;1-2(3)4/h3-4,6-7,10,14,16,20-21H,2,5,8-9,18H2,1H3,(H,19,22);1H3,(H,3,4)/t10-,14+,16+;/m0./s1.
What are the key properties of acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide?
acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 1.37, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 155938523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).