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

C16H22ClN3O — CID 119956124

IUPAC(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C1CC1.Cl
InChIInChI=1S/C16H21N3O.ClH/c1-10(11-6-7-11)19-16(20)14(17)8-12-9-18-15-5-3-2-4-13(12)15;/h2-5,9-11,14,18H,6-8,17H2,1H3,(H,19,20);1H/t10?,14-;/m0./s1
InChIKeyBKSJPEYHWRBFJP-LSWXMUKNSA-N
MW307.82 g/mol
LogP2.37
Rot. Bonds5

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

(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride (PubChem CID 119956124) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
PubChem CID119956124
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C1CC1.Cl
InChIInChI=1S/C16H21N3O.ClH/c1-10(11-6-7-11)19-16(20)14(17)8-12-9-18-15-5-3-2-4-13(12)15;/h2-5,9-11,14,18H,6-8,17H2,1H3,(H,19,20);1H/t10?,14-;/m0./s1
InChIKeyBKSJPEYHWRBFJP-LSWXMUKNSA-N
XLogP2.37
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide
CID 33044135
2-(carbamoylamino)-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide
CID 71902105
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
CID 61148502
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 103827503
2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 114350867
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956120
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 175717213
(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956782
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 104910967
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 175840689

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride (CID 119956124) is (2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride is CC(NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C1CC1.Cl.
What is the InChIKey of (2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
The InChIKey is BKSJPEYHWRBFJP-LSWXMUKNSA-N. The full InChI is InChI=1S/C16H21N3O.ClH/c1-10(11-6-7-11)19-16(20)14(17)8-12-9-18-15-5-3-2-4-13(12)15;/h2-5,9-11,14,18H,6-8,17H2,1H3,(H,19,20);1H/t10?,14-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119956124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).