2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid

C16H17N3O4 — CID 119195154

IUPAC2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CNC(=O)c1cc2ccccc2[nH]1)C1CC1
InChIInChI=1S/C16H17N3O4/c20-14(19(9-15(21)22)11-5-6-11)8-17-16(23)13-7-10-3-1-2-4-12(10)18-13/h1-4,7,11,18H,5-6,8-9H2,(H,17,23)(H,21,22)
InChIKeyDCQLTMAIEWIRAR-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.97
Rot. Bonds6

About 2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid (PubChem CID 119195154) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid
PubChem CID119195154
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CNC(=O)c1cc2ccccc2[nH]1)C1CC1
InChIInChI=1S/C16H17N3O4/c20-14(19(9-15(21)22)11-5-6-11)8-17-16(23)13-7-10-3-1-2-4-12(10)18-13/h1-4,7,11,18H,5-6,8-9H2,(H,17,23)(H,21,22)
InChIKeyDCQLTMAIEWIRAR-UHFFFAOYSA-N
XLogP0.97
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 71995258
N-[2-[(2-hydroxycyclohexyl)methyl-methylamino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 110003663
2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid
CID 60827367
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
CID 162364764
2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid
CID 79262806
1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362845
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81165050
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
(3S)-3-[[2-[2-[(2-hydroxyacetyl)amino]-N-[2-(1H-indole-2-carbonylamino)acetyl]anilino]acetyl]amino]-4-oxobutanoic acid
CID 89169318
N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 166216286

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid (CID 119195154) is 2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid is O=C(O)CN(C(=O)CNC(=O)c1cc2ccccc2[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid?
The InChIKey is DCQLTMAIEWIRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-14(19(9-15(21)22)11-5-6-11)8-17-16(23)13-7-10-3-1-2-4-12(10)18-13/h1-4,7,11,18H,5-6,8-9H2,(H,17,23)(H,21,22).
What are the key properties of 2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid has a molecular weight of 315.33 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 119195154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).