(2S)-2-amino-4-chloropentanoic acid;hydrochloride

C5H11Cl2NO2 — CID 141325915

IUPAC(2S)-2-amino-4-chloropentanoic acid;hydrochloride
SMILESCC(Cl)C[C@H](N)C(=O)O.Cl
InChIInChI=1S/C5H10ClNO2.ClH/c1-3(6)2-4(7)5(8)9;/h3-4H,2,7H2,1H3,(H,8,9);1H/t3?,4-;/m0./s1
InChIKeyNUUPDPHRJUTDDM-LXNQBTANSA-N
MW188.05 g/mol
LogP0.84
Rot. Bonds3

About (2S)-2-amino-4-chloropentanoic acid;hydrochloride

(2S)-2-amino-4-chloropentanoic acid;hydrochloride (PubChem CID 141325915) has the molecular formula C5H11Cl2NO2 and a molecular weight of 188.05 g/mol. Its IUPAC name is (2S)-2-amino-4-chloropentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-chloropentanoic acid;hydrochloride
PubChem CID141325915
Molecular FormulaC5H11Cl2NO2
Molecular Weight188.05 g/mol
Exact Mass187.02
IUPAC Name(2S)-2-amino-4-chloropentanoic acid;hydrochloride
SMILESCC(Cl)C[C@H](N)C(=O)O.Cl
InChIInChI=1S/C5H10ClNO2.ClH/c1-3(6)2-4(7)5(8)9;/h3-4H,2,7H2,1H3,(H,8,9);1H/t3?,4-;/m0./s1
InChIKeyNUUPDPHRJUTDDM-LXNQBTANSA-N
XLogP0.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.05
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-2-amino-5,5-dichloro-4-methylpentanoic acid
CID 11390021
acetyl chloride;(2S)-2-amino-4-methylpentanoic acid;hydrochloride
CID 56924245
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
2-amino-4-hydroxypentanoic acid
CID 14021586
2-amino-4-methylpentanoic acid;chromium
CID 88640601
CID 6369563
CID 6369563
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
(2S)-2-amino-4-deuterio-4-methylpentanoic acid
CID 71309041

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-chloropentanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-4-chloropentanoic acid;hydrochloride (CID 141325915) is (2S)-2-amino-4-chloropentanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-chloropentanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-chloropentanoic acid;hydrochloride is CC(Cl)C[C@H](N)C(=O)O.Cl.
What is the InChIKey of (2S)-2-amino-4-chloropentanoic acid;hydrochloride?
The InChIKey is NUUPDPHRJUTDDM-LXNQBTANSA-N. The full InChI is InChI=1S/C5H10ClNO2.ClH/c1-3(6)2-4(7)5(8)9;/h3-4H,2,7H2,1H3,(H,8,9);1H/t3?,4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-chloropentanoic acid;hydrochloride?
(2S)-2-amino-4-chloropentanoic acid;hydrochloride has a molecular weight of 188.05 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-chloropentanoic acid;hydrochloride is sourced from PubChem (CID 141325915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).