(2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid

C13H15NO2 — CID 40800949

IUPAC(2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid
SMILESCC[C@H](N[C@H]1C=Cc2ccccc21)C(=O)O
InChIInChI=1S/C13H15NO2/c1-2-11(13(15)16)14-12-8-7-9-5-3-4-6-10(9)12/h3-8,11-12,14H,2H2,1H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyIQHUSHSXPCEVKW-RYUDHWBXSA-N
MW217.27 g/mol
LogP2.21
Rot. Bonds4

About (2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid

(2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid (PubChem CID 40800949) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid
PubChem CID40800949
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid
SMILESCC[C@H](N[C@H]1C=Cc2ccccc21)C(=O)O
InChIInChI=1S/C13H15NO2/c1-2-11(13(15)16)14-12-8-7-9-5-3-4-6-10(9)12/h3-8,11-12,14H,2H2,1H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyIQHUSHSXPCEVKW-RYUDHWBXSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1H-inden-1-yl]amino]acetic acid
CID 40800894
2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine
CID 162147233
N-prop-2-ynyl-1H-inden-1-amine
CID 20977367
2-(9H-fluoren-9-ylamino)pentanoic acid
CID 65054645
1-(sulfinatoamino)-1H-indene
CID 174298626
ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 67954177
2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid
CID 122039850
2-(1H-inden-1-yl)hex-2-enoic acid
CID 150371655
2-[(2-methyl-1-phenylpropyl)amino]butanoic acid
CID 113292394
ethane;2-(methylamino)butanoic acid
CID 91558033
(2R)-2-(chloroamino)butanoic acid
CID 101181560
2-[2-[(dimethylamino)methyl]anilino]butanoic acid
CID 115353025

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid?
The IUPAC name of (2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid (CID 40800949) is (2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid?
The canonical SMILES for (2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid is CC[C@H](N[C@H]1C=Cc2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid?
The InChIKey is IQHUSHSXPCEVKW-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-11(13(15)16)14-12-8-7-9-5-3-4-6-10(9)12/h3-8,11-12,14H,2H2,1H3,(H,15,16)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid?
(2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid has a molecular weight of 217.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid is sourced from PubChem (CID 40800949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).