(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride

C14H19ClN4O2 — CID 119956375

IUPAC(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
SMILESCl.NC(=O)CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N4O2.ClH/c15-11(14(20)17-6-5-13(16)19)7-9-8-18-12-4-2-1-3-10(9)12;/h1-4,8,11,18H,5-7,15H2,(H2,16,19)(H,17,20);1H/t11-;/m0./s1
InChIKeyJVSWIPOSRSHUBA-MERQFXBCSA-N
MW310.79 g/mol
LogP0.45
Rot. Bonds6

About (2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride

(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride (PubChem CID 119956375) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
PubChem CID119956375
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
SMILESCl.NC(=O)CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N4O2.ClH/c15-11(14(20)17-6-5-13(16)19)7-9-8-18-12-4-2-1-3-10(9)12;/h1-4,8,11,18H,5-7,15H2,(H2,16,19)(H,17,20);1H/t11-;/m0./s1
InChIKeyJVSWIPOSRSHUBA-MERQFXBCSA-N
XLogP0.45
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134655
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134610
(2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide
CID 104911059
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 57128204
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride (CID 119956375) is (2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride is Cl.NC(=O)CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
The InChIKey is JVSWIPOSRSHUBA-MERQFXBCSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c15-11(14(20)17-6-5-13(16)19)7-9-8-18-12-4-2-1-3-10(9)12;/h1-4,8,11,18H,5-7,15H2,(H2,16,19)(H,17,20);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119956375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).