cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid

C22H29N3O4 — CID 59453855

IUPACcis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCCC[C@H](NC(=O)c1ccc2c(ccn2C)c1)C(=O)N[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C22H29N3O4/c1-3-4-7-18(21(27)23-17-8-5-6-16(17)22(28)29)24-20(26)15-9-10-19-14(13-15)11-12-25(19)2/h9-13,16-18H,3-8H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)/t16-,17+,18+/m1/s1
InChIKeyDAUHPLAOMAGJGR-SQNIBIBYSA-N
MW399.49 g/mol
LogP2.84
Rot. Bonds8

About cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 59453855) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID59453855
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Namecis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCCC[C@H](NC(=O)c1ccc2c(ccn2C)c1)C(=O)N[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C22H29N3O4/c1-3-4-7-18(21(27)23-17-8-5-6-16(17)22(28)29)24-20(26)15-9-10-19-14(13-15)11-12-25(19)2/h9-13,16-18H,3-8H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)/t16-,17+,18+/m1/s1
InChIKeyDAUHPLAOMAGJGR-SQNIBIBYSA-N
XLogP2.84
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide
CID 59453835
cis-(1R,2S)-2-[[(2S)-2-[(1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453908
cis-phenacyl (1R,2S)-2-[[(2S)-2-(naphthalene-2-carbonylamino)hexanoyl]amino]cyclopentane-1-carboxylate
CID 59453968
N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
CID 59453796
N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
CID 59453871
cis-(1R,2S)-2-[[(2S)-2-[(1-methylindazole-3-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453915
cis-(1R,2S)-2-[[(2S)-2-[(6-chloropyridine-2-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453841
N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide
CID 59454084
cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate
CID 59453905
2-[[5-amino-2-(imidazo[1,2-a]pyridine-6-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 145488362
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 165480945
cis-(1R,2S)-2-[[(2S)-2-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59454117

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid (CID 59453855) is cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid is CCCC[C@H](NC(=O)c1ccc2c(ccn2C)c1)C(=O)N[C@H]1CCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is DAUHPLAOMAGJGR-SQNIBIBYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-3-4-7-18(21(27)23-17-8-5-6-16(17)22(28)29)24-20(26)15-9-10-19-14(13-15)11-12-25(19)2/h9-13,16-18H,3-8H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)/t16-,17+,18+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 399.49 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 59453855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).