2-[[(E)-pent-2-enyl]amino]butanoic acid

C9H17NO2 — CID 175267894

IUPAC2-[[(E)-pent-2-enyl]amino]butanoic acid
SMILESCC/C=C/CNC(CC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-5-6-7-10-8(4-2)9(11)12/h5-6,8,10H,3-4,7H2,1-2H3,(H,11,12)/b6-5+
InChIKeyRHBQNLJCKWHTJM-AATRIKPKSA-N
MW171.24 g/mol
LogP1.41
Rot. Bonds6

About 2-[[(E)-pent-2-enyl]amino]butanoic acid

2-[[(E)-pent-2-enyl]amino]butanoic acid (PubChem CID 175267894) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[[(E)-pent-2-enyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[(E)-pent-2-enyl]amino]butanoic acid
PubChem CID175267894
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[[(E)-pent-2-enyl]amino]butanoic acid
SMILESCC/C=C/CNC(CC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-5-6-7-10-8(4-2)9(11)12/h5-6,8,10H,3-4,7H2,1-2H3,(H,11,12)/b6-5+
InChIKeyRHBQNLJCKWHTJM-AATRIKPKSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid
CID 123884869
(2S)-2-(2-methylpropylamino)butanoic acid
CID 149001158
2-[(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 64667124
(2S)-2-(cyanoamino)hept-4-enoic acid
CID 158416031
2-(iodoamino)butanoic acid
CID 23443212
ethane;2-(methylamino)butanoic acid
CID 91558033
2-[(Z)-but-1-enyl]propanedioic acid
CID 139985300
(2R)-2-(chloroamino)butanoic acid
CID 101181560
acetic acid;(Z)-hex-3-ene
CID 87142970
2-(2-ethoxyethylamino)butanoic acid
CID 64668941
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]butanoic acid
CID 65121052
2-[2-[ethyl(methyl)amino]ethylamino]butanoic acid
CID 64670148

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-pent-2-enyl]amino]butanoic acid?
The IUPAC name of 2-[[(E)-pent-2-enyl]amino]butanoic acid (CID 175267894) is 2-[[(E)-pent-2-enyl]amino]butanoic acid.
What is the SMILES notation for 2-[[(E)-pent-2-enyl]amino]butanoic acid?
The canonical SMILES for 2-[[(E)-pent-2-enyl]amino]butanoic acid is CC/C=C/CNC(CC)C(=O)O.
What is the InChIKey of 2-[[(E)-pent-2-enyl]amino]butanoic acid?
The InChIKey is RHBQNLJCKWHTJM-AATRIKPKSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-6-7-10-8(4-2)9(11)12/h5-6,8,10H,3-4,7H2,1-2H3,(H,11,12)/b6-5+.
What are the key properties of 2-[[(E)-pent-2-enyl]amino]butanoic acid?
2-[[(E)-pent-2-enyl]amino]butanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-pent-2-enyl]amino]butanoic acid is sourced from PubChem (CID 175267894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).