(2R)-2-amino-2-(butanoylamino)propanoic acid

C7H14N2O3 — CID 57173752

IUPAC(2R)-2-amino-2-(butanoylamino)propanoic acid
SMILESCCCC(=O)N[C@@](C)(N)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-3-4-5(10)9-7(2,8)6(11)12/h3-4,8H2,1-2H3,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyJLNRBGFBHURNBG-SSDOTTSWSA-N
MW174.20 g/mol
LogP-0.34
Rot. Bonds4

About (2R)-2-amino-2-(butanoylamino)propanoic acid

(2R)-2-amino-2-(butanoylamino)propanoic acid (PubChem CID 57173752) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R)-2-amino-2-(butanoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(butanoylamino)propanoic acid
PubChem CID57173752
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2R)-2-amino-2-(butanoylamino)propanoic acid
SMILESCCCC(=O)N[C@@](C)(N)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-3-4-5(10)9-7(2,8)6(11)12/h3-4,8H2,1-2H3,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyJLNRBGFBHURNBG-SSDOTTSWSA-N
XLogP-0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(butanoylamino)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(butanoylamino)propanoic acid (CID 57173752) is (2R)-2-amino-2-(butanoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(butanoylamino)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(butanoylamino)propanoic acid is CCCC(=O)N[C@@](C)(N)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-(butanoylamino)propanoic acid?
The InChIKey is JLNRBGFBHURNBG-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-4-5(10)9-7(2,8)6(11)12/h3-4,8H2,1-2H3,(H,9,10)(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-(butanoylamino)propanoic acid?
(2R)-2-amino-2-(butanoylamino)propanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.34, 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-(butanoylamino)propanoic acid is sourced from PubChem (CID 57173752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).