3-amino-2-methylidenepentanoic acid

C6H11NO2 — CID 23312012

IUPAC3-amino-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(N)CC
InChIInChI=1S/C6H11NO2/c1-3-5(7)4(2)6(8)9/h5H,2-3,7H2,1H3,(H,8,9)
InChIKeyOJUUGULEHITBSY-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.36
Rot. Bonds3

About 3-amino-2-methylidenepentanoic acid

3-amino-2-methylidenepentanoic acid (PubChem CID 23312012) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-amino-2-methylidenepentanoic acid.

Molecular Properties

Compound Name3-amino-2-methylidenepentanoic acid
PubChem CID23312012
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-amino-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(N)CC
InChIInChI=1S/C6H11NO2/c1-3-5(7)4(2)6(8)9/h5H,2-3,7H2,1H3,(H,8,9)
InChIKeyOJUUGULEHITBSY-UHFFFAOYSA-N
XLogP0.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.36
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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Related Compounds

2-aminobutanoic acid;2-methylprop-2-enoic acid
CID 161129910
(3S)-3-methyl-2-methylidenepentanoic acid
CID 55303655
3-hydroxy-2-methylidenepentanoic acid
CID 15082519
3-carbamoyl-2-methylidenepentanoic acid
CID 54049539
2-aminobutanoic acid;ethane
CID 90764297
aluminum 2-aminobutanoic acid
CID 19792235
2-aminobutanoic acid;sulfane
CID 162128083
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922
2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid
CID 144656113
4-ethoxy-3-ethoxycarbonyl-2-methylidene-4-oxobutanoic acid
CID 10489613
3-aminopent-1-ene-2-thiol
CID 153133138
2-aminobutanamide;hydrochloride
CID 14333659

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylidenepentanoic acid?
The IUPAC name of 3-amino-2-methylidenepentanoic acid (CID 23312012) is 3-amino-2-methylidenepentanoic acid.
What is the SMILES notation for 3-amino-2-methylidenepentanoic acid?
The canonical SMILES for 3-amino-2-methylidenepentanoic acid is C=C(C(=O)O)C(N)CC.
What is the InChIKey of 3-amino-2-methylidenepentanoic acid?
The InChIKey is OJUUGULEHITBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5(7)4(2)6(8)9/h5H,2-3,7H2,1H3,(H,8,9).
What are the key properties of 3-amino-2-methylidenepentanoic acid?
3-amino-2-methylidenepentanoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylidenepentanoic acid is sourced from PubChem (CID 23312012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).