(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid

C14H17NO4 — CID 107834568

IUPAC(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)C1Cc2ccccc2C1
InChIInChI=1S/C14H17NO4/c16-12(14(18)19)5-6-15-13(17)11-7-9-3-1-2-4-10(9)8-11/h1-4,11-12,16H,5-8H2,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyOJQFLUQSWGEBLV-LBPRGKRZSA-N
MW263.29 g/mol
LogP0.35
Rot. Bonds5

About (2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid

(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid (PubChem CID 107834568) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
PubChem CID107834568
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)C1Cc2ccccc2C1
InChIInChI=1S/C14H17NO4/c16-12(14(18)19)5-6-15-13(17)11-7-9-3-1-2-4-10(9)8-11/h1-4,11-12,16H,5-8H2,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyOJQFLUQSWGEBLV-LBPRGKRZSA-N
XLogP0.35
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107832373
(2S)-2-hydroxy-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 107836486
N-(3-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894268
2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
CID 107839632
(2S)-2-hydroxy-4-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
CID 107836320
3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylpropanoic acid
CID 106892370
N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106243560
N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106244912
N-(5-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703980
(2S)-4-(cycloheptanecarbonylamino)-2-hydroxybutanoic acid
CID 107834810
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112527808
N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677779

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid (CID 107834568) is (2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid is O=C(NCC[C@H](O)C(=O)O)C1Cc2ccccc2C1.
What is the InChIKey of (2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid?
The InChIKey is OJQFLUQSWGEBLV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO4/c16-12(14(18)19)5-6-15-13(17)11-7-9-3-1-2-4-10(9)8-11/h1-4,11-12,16H,5-8H2,(H,15,17)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid?
(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid has a molecular weight of 263.29 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 107834568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).