(Z)-3-aminopent-2-enoic acid

C5H9NO2 — CID 21472497

IUPAC(Z)-3-aminopent-2-enoic acid
SMILESCC/C(N)=C/C(=O)O
InChIInChI=1S/C5H9NO2/c1-2-4(6)3-5(7)8/h3H,2,6H2,1H3,(H,7,8)/b4-3-
InChIKeyMROHVDUIHJQHBL-ARJAWSKDSA-N
MW115.13 g/mol
LogP0.32
Rot. Bonds2

About (Z)-3-aminopent-2-enoic acid

(Z)-3-aminopent-2-enoic acid (PubChem CID 21472497) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (Z)-3-aminopent-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-aminopent-2-enoic acid
PubChem CID21472497
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(Z)-3-aminopent-2-enoic acid
SMILESCC/C(N)=C/C(=O)O
InChIInChI=1S/C5H9NO2/c1-2-4(6)3-5(7)8/h3H,2,6H2,1H3,(H,7,8)/b4-3-
InChIKeyMROHVDUIHJQHBL-ARJAWSKDSA-N
XLogP0.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-aminopent-2-enoic acid?
The IUPAC name of (Z)-3-aminopent-2-enoic acid (CID 21472497) is (Z)-3-aminopent-2-enoic acid.
What is the SMILES notation for (Z)-3-aminopent-2-enoic acid?
The canonical SMILES for (Z)-3-aminopent-2-enoic acid is CC/C(N)=C/C(=O)O.
What is the InChIKey of (Z)-3-aminopent-2-enoic acid?
The InChIKey is MROHVDUIHJQHBL-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-4(6)3-5(7)8/h3H,2,6H2,1H3,(H,7,8)/b4-3-.
What are the key properties of (Z)-3-aminopent-2-enoic acid?
(Z)-3-aminopent-2-enoic acid has a molecular weight of 115.13 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-aminopent-2-enoic acid is sourced from PubChem (CID 21472497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).