(2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide

C17H22N4O2 — CID 33044135

IUPAC(2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide
SMILESC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O)C1CC1
InChIInChI=1S/C17H22N4O2/c1-10(11-6-7-11)20-16(22)15(21-17(18)23)8-12-9-19-14-5-3-2-4-13(12)14/h2-5,9-11,15,19H,6-8H2,1H3,(H,20,22)(H3,18,21,23)/t10-,15+/m1/s1
InChIKeyJPKMDSAQIALPBU-BMIGLBTASA-N
MW314.39 g/mol
LogP1.66
Rot. Bonds6

About (2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide

(2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 33044135) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID33044135
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide
SMILESC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O)C1CC1
InChIInChI=1S/C17H22N4O2/c1-10(11-6-7-11)20-16(22)15(21-17(18)23)8-12-9-19-14-5-3-2-4-13(12)14/h2-5,9-11,15,19H,6-8H2,1H3,(H,20,22)(H3,18,21,23)/t10-,15+/m1/s1
InChIKeyJPKMDSAQIALPBU-BMIGLBTASA-N
XLogP1.66
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide
CID 71902105
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956124
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
(2S)-2-(carbamoylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indol-3-yl)propanamide
CID 8927914
2-acetamido-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 23276981
[1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea
CID 17433076
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18232551
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid
CID 145453689
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
CID 170261620
N-[1-(3-hydroxybutylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 111433482
2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid
CID 18218546

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide (CID 33044135) is (2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide is C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O)C1CC1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is JPKMDSAQIALPBU-BMIGLBTASA-N. The full InChI is InChI=1S/C17H22N4O2/c1-10(11-6-7-11)20-16(22)15(21-17(18)23)8-12-9-19-14-5-3-2-4-13(12)14/h2-5,9-11,15,19H,6-8H2,1H3,(H,20,22)(H3,18,21,23)/t10-,15+/m1/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide?
(2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 33044135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).