(2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide

C17H23N3O — CID 103827664

IUPAC(2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide
SMILESCC1(C)CC1CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O/c1-17(2)8-12(17)10-20-16(21)14(18)7-11-9-19-15-6-4-3-5-13(11)15/h3-6,9,12,14,19H,7-8,10,18H2,1-2H3,(H,20,21)/t12?,14-/m0/s1
InChIKeyVFDKGNXCLHFVLQ-PYMCNQPYSA-N
MW285.39 g/mol
LogP2.20
Rot. Bonds5

About (2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide

(2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 103827664) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide
PubChem CID103827664
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide
SMILESCC1(C)CC1CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O/c1-17(2)8-12(17)10-20-16(21)14(18)7-11-9-19-15-6-4-3-5-13(11)15/h3-6,9,12,14,19H,7-8,10,18H2,1-2H3,(H,20,21)/t12?,14-/m0/s1
InChIKeyVFDKGNXCLHFVLQ-PYMCNQPYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
CID 119957769
(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-methylphenyl)ethyl]propanamide
CID 119956073
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
(2S)-2-amino-3-(1H-indol-3-yl)-N-(thiolan-2-ylmethyl)propanamide
CID 80583421
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 119957436
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide
CID 104940105
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide (CID 103827664) is (2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide is CC1(C)CC1CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is VFDKGNXCLHFVLQ-PYMCNQPYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2)8-12(17)10-20-16(21)14(18)7-11-9-19-15-6-4-3-5-13(11)15/h3-6,9,12,14,19H,7-8,10,18H2,1-2H3,(H,20,21)/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide?
(2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 285.39 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-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 103827664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).