(2S)-3-amino-2-(propan-2-ylamino)propanoic acid

C6H14N2O2 — CID 59149285

IUPAC(2S)-3-amino-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)N[C@@H](CN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-4(2)8-5(3-7)6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKeyLRIAIZFUPJVRMH-YFKPBYRVSA-N
MW146.19 g/mol
LogP-0.60
Rot. Bonds4

About (2S)-3-amino-2-(propan-2-ylamino)propanoic acid

(2S)-3-amino-2-(propan-2-ylamino)propanoic acid (PubChem CID 59149285) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S)-3-amino-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-amino-2-(propan-2-ylamino)propanoic acid
PubChem CID59149285
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(2S)-3-amino-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)N[C@@H](CN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-4(2)8-5(3-7)6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKeyLRIAIZFUPJVRMH-YFKPBYRVSA-N
XLogP-0.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of (2S)-3-amino-2-(propan-2-ylamino)propanoic acid (CID 59149285) is (2S)-3-amino-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for (2S)-3-amino-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for (2S)-3-amino-2-(propan-2-ylamino)propanoic acid is CC(C)N[C@@H](CN)C(=O)O.
What is the InChIKey of (2S)-3-amino-2-(propan-2-ylamino)propanoic acid?
The InChIKey is LRIAIZFUPJVRMH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-4(2)8-5(3-7)6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-3-amino-2-(propan-2-ylamino)propanoic acid?
(2S)-3-amino-2-(propan-2-ylamino)propanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 59149285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).