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

C16H23N3O — CID 61148502

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
SMILESCC(C)C(C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-10(2)11(3)19-16(20)14(17)8-12-9-18-15-7-5-4-6-13(12)15/h4-7,9-11,14,18H,8,17H2,1-3H3,(H,19,20)/t11?,14-/m0/s1
InChIKeyNSLZPLZUGOLXRH-IAXJKZSUSA-N
MW273.38 g/mol
LogP2.20
Rot. Bonds5

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

(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide (PubChem CID 61148502) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
PubChem CID61148502
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
SMILESCC(C)C(C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-10(2)11(3)19-16(20)14(17)8-12-9-18-15-7-5-4-6-13(12)15/h4-7,9-11,14,18H,8,17H2,1-3H3,(H,19,20)/t11?,14-/m0/s1
InChIKeyNSLZPLZUGOLXRH-IAXJKZSUSA-N
XLogP2.20
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(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-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 104910967
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CID 14410610
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide
CID 119956347
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956120
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956124
(2S)-2-amino-3-(1H-indol-3-yl)-N-pent-4-yn-2-ylpropanamide
CID 104864210
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134610
2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134655
tert-butyl (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoate
CID 54512148

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide (CID 61148502) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide is CC(C)C(C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide?
The InChIKey is NSLZPLZUGOLXRH-IAXJKZSUSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10(2)11(3)19-16(20)14(17)8-12-9-18-15-7-5-4-6-13(12)15/h4-7,9-11,14,18H,8,17H2,1-3H3,(H,19,20)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide has a molecular weight of 273.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 61148502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).