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

C17H23N3O — CID 103827697

IUPAC(2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide
SMILESCCC1(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CCC1
InChIInChI=1S/C17H23N3O/c1-2-17(8-5-9-17)20-16(21)14(18)10-12-11-19-15-7-4-3-6-13(12)15/h3-4,6-7,11,14,19H,2,5,8-10,18H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyQOKHQJDTPHJUCC-AWEZNQCLSA-N
MW285.39 g/mol
LogP2.49
Rot. Bonds5

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

(2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 103827697) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide
PubChem CID103827697
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide
SMILESCCC1(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CCC1
InChIInChI=1S/C17H23N3O/c1-2-17(8-5-9-17)20-16(21)14(18)10-12-11-19-15-7-4-3-6-13(12)15/h3-4,6-7,11,14,19H,2,5,8-10,18H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyQOKHQJDTPHJUCC-AWEZNQCLSA-N
XLogP2.49
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride
CID 119957322
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
CID 119957769
(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-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride
CID 119957354
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956124
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 119956280
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
CID 61148502
2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-2-methylpropanoate
CID 169008228
2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 114350915

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide (CID 103827697) is (2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide is CCC1(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CCC1.
What is the InChIKey of (2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is QOKHQJDTPHJUCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-17(8-5-9-17)20-16(21)14(18)10-12-11-19-15-7-4-3-6-13(12)15/h3-4,6-7,11,14,19H,2,5,8-10,18H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide?
(2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 2.49, 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-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 103827697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).