(2R)-2-aminopropanoic acid;2-methylprop-2-enamide

C7H14N2O3 — CID 175865115

IUPAC(2R)-2-aminopropanoic acid;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.C[C@@H](N)C(=O)O
InChIInChI=1S/C4H7NO.C3H7NO2/c1-3(2)4(5)6;1-2(4)3(5)6/h1H2,2H3,(H2,5,6);2H,4H2,1H3,(H,5,6)/t;2-/m.1/s1
InChIKeyDOROBIZSZRTURB-ARGLLVQISA-N
MW174.20 g/mol
LogP-0.53
Rot. Bonds2

About (2R)-2-aminopropanoic acid;2-methylprop-2-enamide

(2R)-2-aminopropanoic acid;2-methylprop-2-enamide (PubChem CID 175865115) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R)-2-aminopropanoic acid;2-methylprop-2-enamide.

Molecular Properties

Compound Name(2R)-2-aminopropanoic acid;2-methylprop-2-enamide
PubChem CID175865115
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2R)-2-aminopropanoic acid;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.C[C@@H](N)C(=O)O
InChIInChI=1S/C4H7NO.C3H7NO2/c1-3(2)4(5)6;1-2(4)3(5)6/h1H2,2H3,(H2,5,6);2H,4H2,1H3,(H,5,6)/t;2-/m.1/s1
InChIKeyDOROBIZSZRTURB-ARGLLVQISA-N
XLogP-0.53
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminopropanoic acid;2-methylprop-2-enamide?
The IUPAC name of (2R)-2-aminopropanoic acid;2-methylprop-2-enamide (CID 175865115) is (2R)-2-aminopropanoic acid;2-methylprop-2-enamide.
What is the SMILES notation for (2R)-2-aminopropanoic acid;2-methylprop-2-enamide?
The canonical SMILES for (2R)-2-aminopropanoic acid;2-methylprop-2-enamide is C=C(C)C(N)=O.C[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-aminopropanoic acid;2-methylprop-2-enamide?
The InChIKey is DOROBIZSZRTURB-ARGLLVQISA-N. The full InChI is InChI=1S/C4H7NO.C3H7NO2/c1-3(2)4(5)6;1-2(4)3(5)6/h1H2,2H3,(H2,5,6);2H,4H2,1H3,(H,5,6)/t;2-/m.1/s1.
What are the key properties of (2R)-2-aminopropanoic acid;2-methylprop-2-enamide?
(2R)-2-aminopropanoic acid;2-methylprop-2-enamide has a molecular weight of 174.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminopropanoic acid;2-methylprop-2-enamide is sourced from PubChem (CID 175865115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).