methyl 4-(1H-indole-4-carbonylamino)butanoate

C14H16N2O3 — CID 60864608

IUPACmethyl 4-(1H-indole-4-carbonylamino)butanoate
SMILESCOC(=O)CCCNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H16N2O3/c1-19-13(17)6-3-8-16-14(18)11-4-2-5-12-10(11)7-9-15-12/h2,4-5,7,9,15H,3,6,8H2,1H3,(H,16,18)
InChIKeyZVNDATKFBSCHTG-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.85
Rot. Bonds5

About methyl 4-(1H-indole-4-carbonylamino)butanoate

methyl 4-(1H-indole-4-carbonylamino)butanoate (PubChem CID 60864608) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 4-(1H-indole-4-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(1H-indole-4-carbonylamino)butanoate
PubChem CID60864608
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 4-(1H-indole-4-carbonylamino)butanoate
SMILESCOC(=O)CCCNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H16N2O3/c1-19-13(17)6-3-8-16-14(18)11-4-2-5-12-10(11)7-9-15-12/h2,4-5,7,9,15H,3,6,8H2,1H3,(H,16,18)
InChIKeyZVNDATKFBSCHTG-UHFFFAOYSA-N
XLogP1.85
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 31842152
N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide
CID 43596537
N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide
CID 43583021
methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 29131557
methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate
CID 103957814
2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid
CID 60662850
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
1H-indole-4-carbohydrazide
CID 43316644
N-(2-thiophen-3-ylethyl)-1H-indole-4-carboxamide
CID 60863712

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1H-indole-4-carbonylamino)butanoate?
The IUPAC name of methyl 4-(1H-indole-4-carbonylamino)butanoate (CID 60864608) is methyl 4-(1H-indole-4-carbonylamino)butanoate.
What is the SMILES notation for methyl 4-(1H-indole-4-carbonylamino)butanoate?
The canonical SMILES for methyl 4-(1H-indole-4-carbonylamino)butanoate is COC(=O)CCCNC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of methyl 4-(1H-indole-4-carbonylamino)butanoate?
The InChIKey is ZVNDATKFBSCHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-13(17)6-3-8-16-14(18)11-4-2-5-12-10(11)7-9-15-12/h2,4-5,7,9,15H,3,6,8H2,1H3,(H,16,18).
What are the key properties of methyl 4-(1H-indole-4-carbonylamino)butanoate?
methyl 4-(1H-indole-4-carbonylamino)butanoate has a molecular weight of 260.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1H-indole-4-carbonylamino)butanoate is sourced from PubChem (CID 60864608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).