(3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid

C7H11NO4 — CID 142645674

IUPAC(3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid
SMILESC=CCOC(=O)[C@H](N)CC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-3-12-7(11)5(8)4-6(9)10/h2,5H,1,3-4,8H2,(H,9,10)/t5-/m1/s1
InChIKeyKHIQYWBMJLMXHH-RXMQYKEDSA-N
MW173.17 g/mol
LogP-0.48
Rot. Bonds5

About (3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid

(3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid (PubChem CID 142645674) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid
PubChem CID142645674
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid
SMILESC=CCOC(=O)[C@H](N)CC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-3-12-7(11)5(8)4-6(9)10/h2,5H,1,3-4,8H2,(H,9,10)/t5-/m1/s1
InChIKeyKHIQYWBMJLMXHH-RXMQYKEDSA-N
XLogP-0.48
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-2-enyl) 2-aminobutanedioate
CID 3883747
2-amino-4-oxo-4-prop-2-enoxybutanoic acid;hydrochloride
CID 71340217
bis(prop-2-enyl) (2R)-2-aminopentanedioate
CID 87603171
(3S)-3-amino-4-aminooxy-4-oxobutanoic acid
CID 20575901
prop-2-enyl 2-aminopropanoate
CID 91515395
(3S)-3-amino-4,5-dioxopentanoic acid
CID 89053272
(3S)-3-amino-4-(3,3-diaminopropoxy)-4-oxobutanoic acid
CID 139681719
1-O-benzyl 4-O-prop-2-enyl (2R)-2-aminobutanedioate
CID 11780340
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
(3R)-4-oxo-3-phenyl-4-prop-2-enoxybutanoic acid
CID 97456126
3-aminohex-5-enoic acid
CID 22142027
prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 86346309

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid?
The IUPAC name of (3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid (CID 142645674) is (3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid.
What is the SMILES notation for (3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid?
The canonical SMILES for (3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid is C=CCOC(=O)[C@H](N)CC(=O)O.
What is the InChIKey of (3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid?
The InChIKey is KHIQYWBMJLMXHH-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-3-12-7(11)5(8)4-6(9)10/h2,5H,1,3-4,8H2,(H,9,10)/t5-/m1/s1.
What are the key properties of (3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid?
(3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid is sourced from PubChem (CID 142645674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).