(methylideneamino) (2R)-2-aminobutanoate

C5H10N2O2 — CID 163751813

IUPAC(methylideneamino) (2R)-2-aminobutanoate
SMILESC=NOC(=O)[C@H](N)CC
InChIInChI=1S/C5H10N2O2/c1-3-4(6)5(8)9-7-2/h4H,2-3,6H2,1H3/t4-/m1/s1
InChIKeyLQPVAPRCERVFQB-SCSAIBSYSA-N
MW130.15 g/mol
LogP-0.12
Rot. Bonds3

About (methylideneamino) (2R)-2-aminobutanoate

(methylideneamino) (2R)-2-aminobutanoate (PubChem CID 163751813) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (methylideneamino) (2R)-2-aminobutanoate.

Molecular Properties

Compound Name(methylideneamino) (2R)-2-aminobutanoate
PubChem CID163751813
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(methylideneamino) (2R)-2-aminobutanoate
SMILESC=NOC(=O)[C@H](N)CC
InChIInChI=1S/C5H10N2O2/c1-3-4(6)5(8)9-7-2/h4H,2-3,6H2,1H3/t4-/m1/s1
InChIKeyLQPVAPRCERVFQB-SCSAIBSYSA-N
XLogP-0.12
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (methylideneamino) (2R)-2-aminobutanoate?
The IUPAC name of (methylideneamino) (2R)-2-aminobutanoate (CID 163751813) is (methylideneamino) (2R)-2-aminobutanoate.
What is the SMILES notation for (methylideneamino) (2R)-2-aminobutanoate?
The canonical SMILES for (methylideneamino) (2R)-2-aminobutanoate is C=NOC(=O)[C@H](N)CC.
What is the InChIKey of (methylideneamino) (2R)-2-aminobutanoate?
The InChIKey is LQPVAPRCERVFQB-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-4(6)5(8)9-7-2/h4H,2-3,6H2,1H3/t4-/m1/s1.
What are the key properties of (methylideneamino) (2R)-2-aminobutanoate?
(methylideneamino) (2R)-2-aminobutanoate has a molecular weight of 130.15 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (methylideneamino) (2R)-2-aminobutanoate is sourced from PubChem (CID 163751813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).