2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide

C12H14N4O2 — CID 114350832

IUPAC2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
SMILESNC(=O)NC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H14N4O2/c13-9(11(17)16-12(14)18)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9,15H,5,13H2,(H3,14,16,17,18)
InChIKeyIXOKBWZNHCJEPL-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.23
Rot. Bonds3

About 2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide

2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide (PubChem CID 114350832) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
PubChem CID114350832
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
SMILESNC(=O)NC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H14N4O2/c13-9(11(17)16-12(14)18)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9,15H,5,13H2,(H3,14,16,17,18)
InChIKeyIXOKBWZNHCJEPL-UHFFFAOYSA-N
XLogP0.23
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
CID 61148502
4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzamide
CID 22691575
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide (CID 114350832) is 2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide is NC(=O)NC(=O)C(N)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide?
The InChIKey is IXOKBWZNHCJEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-9(11(17)16-12(14)18)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9,15H,5,13H2,(H3,14,16,17,18).
What are the key properties of 2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide?
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide has a molecular weight of 246.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 114350832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).