(2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid

C10H12ClNO2 — CID 130641092

IUPAC(2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid
SMILESCCc1c(Cl)cccc1[C@H](N)C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-2-6-7(9(12)10(13)14)4-3-5-8(6)11/h3-5,9H,2,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyQTSPCMFTCLOHJV-VIFPVBQESA-N
MW213.66 g/mol
LogP1.99
Rot. Bonds3

About (2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid

(2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid (PubChem CID 130641092) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid
PubChem CID130641092
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid
SMILESCCc1c(Cl)cccc1[C@H](N)C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-2-6-7(9(12)10(13)14)4-3-5-8(6)11/h3-5,9H,2,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyQTSPCMFTCLOHJV-VIFPVBQESA-N
XLogP1.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-ethylphenyl)ethanamine
CID 55282623
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride
CID 138109176
(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride
CID 162344171
2-amino-2-(2-pentan-3-ylphenyl)acetic acid
CID 83838407
2-amino-2-(2-ethyl-3,4-dimethoxyphenyl)acetic acid
CID 117350529
2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid
CID 53429986
2-[(2,6-dichlorophenyl)methyl]propanedioic acid
CID 170895382
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415
3-[3-chloro-2-(fluoromethyl)phenyl]butanoic acid
CID 84694038
2-amino-2-(2-amino-3-methylphenyl)acetic acid
CID 55282841

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid (CID 130641092) is (2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid is CCc1c(Cl)cccc1[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid?
The InChIKey is QTSPCMFTCLOHJV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-2-6-7(9(12)10(13)14)4-3-5-8(6)11/h3-5,9H,2,12H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid?
(2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid has a molecular weight of 213.66 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid is sourced from PubChem (CID 130641092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).