3-carbamoyl-2-methylidenepentanoic acid

C7H11NO3 — CID 54049539

IUPAC3-carbamoyl-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(CC)C(N)=O
InChIInChI=1S/C7H11NO3/c1-3-5(6(8)9)4(2)7(10)11/h5H,2-3H2,1H3,(H2,8,9)(H,10,11)
InChIKeyLRXRPJNDMLTXGG-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.14
Rot. Bonds4

About 3-carbamoyl-2-methylidenepentanoic acid

3-carbamoyl-2-methylidenepentanoic acid (PubChem CID 54049539) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-carbamoyl-2-methylidenepentanoic acid.

Molecular Properties

Compound Name3-carbamoyl-2-methylidenepentanoic acid
PubChem CID54049539
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-carbamoyl-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(CC)C(N)=O
InChIInChI=1S/C7H11NO3/c1-3-5(6(8)9)4(2)7(10)11/h5H,2-3H2,1H3,(H2,8,9)(H,10,11)
InChIKeyLRXRPJNDMLTXGG-UHFFFAOYSA-N
XLogP0.14
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.14
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

3-amino-2-methylidenepentanoic acid
CID 23312012
2-(hydrazinecarbonyl)butanamide
CID 119096402
(3S)-3-methyl-2-methylidenepentanoic acid
CID 55303655
3-hydroxy-2-methylidenepentanoic acid
CID 15082519
2-(2-ethoxy-2-oxoethyl)-3-methylidenebutanedioic acid
CID 101281405
4-carbamoyl-3-[2-(dimethylamino)ethyl]-2-methylidenepent-4-enoic acid
CID 57017729
4-ethoxy-3-ethoxycarbonyl-2-methylidene-4-oxobutanoic acid
CID 10489613
2-(1-hydroxyethenyl)tetradecanamide
CID 141206460
(2R)-2-(4-ethoxy-4-oxobutyl)-3-methylidenebutanedioic acid
CID 162957864
3-(diethylamino)-2-methylidenebutanoic acid
CID 87069221
5-heptoxy-3-heptoxycarbonyl-2-methylidene-5-oxopentanoic acid
CID 101281438
(2S)-2-(5-hydroxyhexyl)-3-methylidenebutanedioic acid
CID 177400028

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-2-methylidenepentanoic acid?
The IUPAC name of 3-carbamoyl-2-methylidenepentanoic acid (CID 54049539) is 3-carbamoyl-2-methylidenepentanoic acid.
What is the SMILES notation for 3-carbamoyl-2-methylidenepentanoic acid?
The canonical SMILES for 3-carbamoyl-2-methylidenepentanoic acid is C=C(C(=O)O)C(CC)C(N)=O.
What is the InChIKey of 3-carbamoyl-2-methylidenepentanoic acid?
The InChIKey is LRXRPJNDMLTXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-5(6(8)9)4(2)7(10)11/h5H,2-3H2,1H3,(H2,8,9)(H,10,11).
What are the key properties of 3-carbamoyl-2-methylidenepentanoic acid?
3-carbamoyl-2-methylidenepentanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-2-methylidenepentanoic acid is sourced from PubChem (CID 54049539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).