(2S)-2,4-bis(azaniumyl)butanoate

C4H11N2O2+ — CID 6971272

IUPAC(2S)-2,4-bis(azaniumyl)butanoate
SMILES[NH3+]CC[C@H]([NH3+])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-O
MW119.14 g/mol
LogP-4.02
Rot. Bonds3

About (2S)-2,4-bis(azaniumyl)butanoate

(2S)-2,4-bis(azaniumyl)butanoate (PubChem CID 6971272) has the molecular formula C4H11N2O2+ and a molecular weight of 119.14 g/mol. Its IUPAC name is (2S)-2,4-bis(azaniumyl)butanoate.

Molecular Properties

Compound Name(2S)-2,4-bis(azaniumyl)butanoate
PubChem CID6971272
Molecular FormulaC4H11N2O2+
Molecular Weight119.14 g/mol
Exact Mass119.08
IUPAC Name(2S)-2,4-bis(azaniumyl)butanoate
SMILES[NH3+]CC[C@H]([NH3+])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-O
XLogP-4.02
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-4.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diaminobutyric acid
CID 470
L-2,4-Diaminobutyric acid
CID 134490
(2S)-4-amino-2-ammonio-4-oxobutanoate
CID 6992089
CID 5247114
CID 5247114
CID 6991971
CID 6991971
2,4-Diaminobutyric acid dihydrochloride, (+-)-
CID 2724329
2,4-Diaminobutyric acid, D-
CID 638153
2,4-Diaminobutanoic acid hydrochloride
CID 12430454
L-2,4-Diaminobutyric acid dihydrochloride
CID 2724265
Azidohomoalanine
CID 147480
Butanoic acid, 2-amino-4-azido-, (+-)-
CID 147481
(2S)-2-Amino-4-(hydroxyamino)butanoic acid
CID 3082628

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-bis(azaniumyl)butanoate?
The IUPAC name of (2S)-2,4-bis(azaniumyl)butanoate (CID 6971272) is (2S)-2,4-bis(azaniumyl)butanoate.
What is the SMILES notation for (2S)-2,4-bis(azaniumyl)butanoate?
The canonical SMILES for (2S)-2,4-bis(azaniumyl)butanoate is [NH3+]CC[C@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2S)-2,4-bis(azaniumyl)butanoate?
The InChIKey is OGNSCSPNOLGXSM-VKHMYHEASA-O. 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-bis(azaniumyl)butanoate?
(2S)-2,4-bis(azaniumyl)butanoate has a molecular weight of 119.14 g/mol, XLogP of -4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-bis(azaniumyl)butanoate is sourced from PubChem (CID 6971272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).