(Z,2S)-2-amino-5-chloropent-4-enoic acid

C5H8ClNO2 — CID 10329430

IUPAC(Z,2S)-2-amino-5-chloropent-4-enoic acid
SMILESN[C@@H](C/C=C\Cl)C(=O)O
InChIInChI=1S/C5H8ClNO2/c6-3-1-2-4(7)5(8)9/h1,3-4H,2,7H2,(H,8,9)/b3-1-/t4-/m0/s1
InChIKeyQAHGWXYRQRKWSN-HNHRSYQESA-N
MW149.58 g/mol
LogP0.54
Rot. Bonds3

About (Z,2S)-2-amino-5-chloropent-4-enoic acid

(Z,2S)-2-amino-5-chloropent-4-enoic acid (PubChem CID 10329430) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is (Z,2S)-2-amino-5-chloropent-4-enoic acid.

Molecular Properties

Compound Name(Z,2S)-2-amino-5-chloropent-4-enoic acid
PubChem CID10329430
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name(Z,2S)-2-amino-5-chloropent-4-enoic acid
SMILESN[C@@H](C/C=C\Cl)C(=O)O
InChIInChI=1S/C5H8ClNO2/c6-3-1-2-4(7)5(8)9/h1,3-4H,2,7H2,(H,8,9)/b3-1-/t4-/m0/s1
InChIKeyQAHGWXYRQRKWSN-HNHRSYQESA-N
XLogP0.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-amino-5-chloropent-4-enoic acid?
The IUPAC name of (Z,2S)-2-amino-5-chloropent-4-enoic acid (CID 10329430) is (Z,2S)-2-amino-5-chloropent-4-enoic acid.
What is the SMILES notation for (Z,2S)-2-amino-5-chloropent-4-enoic acid?
The canonical SMILES for (Z,2S)-2-amino-5-chloropent-4-enoic acid is N[C@@H](C/C=C\Cl)C(=O)O.
What is the InChIKey of (Z,2S)-2-amino-5-chloropent-4-enoic acid?
The InChIKey is QAHGWXYRQRKWSN-HNHRSYQESA-N. The full InChI is InChI=1S/C5H8ClNO2/c6-3-1-2-4(7)5(8)9/h1,3-4H,2,7H2,(H,8,9)/b3-1-/t4-/m0/s1.
What are the key properties of (Z,2S)-2-amino-5-chloropent-4-enoic acid?
(Z,2S)-2-amino-5-chloropent-4-enoic acid has a molecular weight of 149.58 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-amino-5-chloropent-4-enoic acid is sourced from PubChem (CID 10329430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).