(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid

C14H18N2O3 — CID 103869735

IUPAC(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)c1ccc2c(c1)CCN2)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-2-3-12(14(18)19)16-13(17)10-4-5-11-9(8-10)6-7-15-11/h4-5,8,12,15H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyBXNYIPOSMGFLDR-LBPRGKRZSA-N
MW262.31 g/mol
LogP1.64
Rot. Bonds5

About (2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid

(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid (PubChem CID 103869735) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid
PubChem CID103869735
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)c1ccc2c(c1)CCN2)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-2-3-12(14(18)19)16-13(17)10-4-5-11-9(8-10)6-7-15-11/h4-5,8,12,15H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyBXNYIPOSMGFLDR-LBPRGKRZSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-4-methylsulfanylbutanoic acid
CID 104909365
(2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid
CID 61161325
4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 61244599
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 61174014
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid
CID 82257819
N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938314
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
CID 116554160
methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate
CID 60780386
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
N-ethoxy-2,3-dihydro-1H-indole-5-carboxamide
CID 64974739

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid?
The IUPAC name of (2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid (CID 103869735) is (2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid is CCC[C@H](NC(=O)c1ccc2c(c1)CCN2)C(=O)O.
What is the InChIKey of (2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid?
The InChIKey is BXNYIPOSMGFLDR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-3-12(14(18)19)16-13(17)10-4-5-11-9(8-10)6-7-15-11/h4-5,8,12,15H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid?
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid is sourced from PubChem (CID 103869735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).