(2S)-2,4-diaminobutanoate

C4H9N2O2- — CID 5460382

IUPAC(2S)-2,4-diaminobutanoate
SMILESNCC[C@H](N)C(=O)[O-]
InChIInChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/p-1/t3-/m0/s1
InChIKeyOGNSCSPNOLGXSM-VKHMYHEASA-M
MW117.13 g/mol
LogP-2.59
Rot. Bonds3

About (2S)-2,4-diaminobutanoate

(2S)-2,4-diaminobutanoate (PubChem CID 5460382) has the molecular formula C4H9N2O2- and a molecular weight of 117.13 g/mol. Its IUPAC name is (2S)-2,4-diaminobutanoate.

Molecular Properties

Compound Name(2S)-2,4-diaminobutanoate
PubChem CID5460382
Molecular FormulaC4H9N2O2-
Molecular Weight117.13 g/mol
Exact Mass117.07
IUPAC Name(2S)-2,4-diaminobutanoate
SMILESNCC[C@H](N)C(=O)[O-]
InChIInChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/p-1/t3-/m0/s1
InChIKeyOGNSCSPNOLGXSM-VKHMYHEASA-M
XLogP-2.59
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 5-2.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-diaminobutanoate?
The IUPAC name of (2S)-2,4-diaminobutanoate (CID 5460382) is (2S)-2,4-diaminobutanoate.
What is the SMILES notation for (2S)-2,4-diaminobutanoate?
The canonical SMILES for (2S)-2,4-diaminobutanoate is NCC[C@H](N)C(=O)[O-].
What is the InChIKey of (2S)-2,4-diaminobutanoate?
The InChIKey is OGNSCSPNOLGXSM-VKHMYHEASA-M. The full InChI is InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/p-1/t3-/m0/s1.
What are the key properties of (2S)-2,4-diaminobutanoate?
(2S)-2,4-diaminobutanoate has a molecular weight of 117.13 g/mol, XLogP of -2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-diaminobutanoate is sourced from PubChem (CID 5460382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).