(2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid

C7H12N2O3 — CID 62705599

IUPAC(2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid
SMILESC=C(C)C[C@@](N)(C(N)=O)C(=O)O
InChIInChI=1S/C7H12N2O3/c1-4(2)3-7(9,5(8)10)6(11)12/h1,3,9H2,2H3,(H2,8,10)(H,11,12)/t7-/m1/s1
InChIKeyQFBNPVMSYVPYQG-SSDOTTSWSA-N
MW172.18 g/mol
LogP-0.78
Rot. Bonds4

About (2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid

(2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid (PubChem CID 62705599) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid
PubChem CID62705599
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid
SMILESC=C(C)C[C@@](N)(C(N)=O)C(=O)O
InChIInChI=1S/C7H12N2O3/c1-4(2)3-7(9,5(8)10)6(11)12/h1,3,9H2,2H3,(H2,8,10)(H,11,12)/t7-/m1/s1
InChIKeyQFBNPVMSYVPYQG-SSDOTTSWSA-N
XLogP-0.78
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,3-diamino-2-(hydroxymethyl)-3-oxopropanoic acid
CID 69029304
2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid
CID 174849026
2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane
CID 177367587
(2R)-2-isocyano-4-methyl-2-(2-oxopropyl)pent-4-enoic acid
CID 58130699
3,3,5-trimethylhex-5-en-2-one
CID 22159646
(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
CID 62705603
2-amino-2-methyl-4-oxopentanoic acid
CID 22140646
2,2,4-trimethylpent-4-enyl acetate
CID 15738243
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057
2-amino-3-hydroxy-2-methylbut-3-enoic acid
CID 155265357
3-amino-3-carbamoylpentanedioic acid
CID 174790870
(2R)-2-acetyl-2,6-diaminohexanoic acid
CID 22853479

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid?
The IUPAC name of (2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid (CID 62705599) is (2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid.
What is the SMILES notation for (2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid?
The canonical SMILES for (2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid is C=C(C)C[C@@](N)(C(N)=O)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid?
The InChIKey is QFBNPVMSYVPYQG-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-4(2)3-7(9,5(8)10)6(11)12/h1,3,9H2,2H3,(H2,8,10)(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid?
(2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid has a molecular weight of 172.18 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid is sourced from PubChem (CID 62705599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).