(2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate

C7H14N2O4 — CID 7006473

IUPAC(2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate
SMILESC[C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])[C@@H](C)O
InChIInChI=1S/C7H14N2O4/c1-3(8)6(11)9-5(4(2)10)7(12)13/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)/t3-,4+,5-/m0/s1
InChIKeyBUQICHWNXBIBOG-LMVFSUKVSA-N
MW190.20 g/mol
LogP-3.77
Rot. Bonds4

About (2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate

(2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate (PubChem CID 7006473) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate.

Molecular Properties

Compound Name(2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate
PubChem CID7006473
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name(2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate
SMILESC[C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])[C@@H](C)O
InChIInChI=1S/C7H14N2O4/c1-3(8)6(11)9-5(4(2)10)7(12)13/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)/t3-,4+,5-/m0/s1
InChIKeyBUQICHWNXBIBOG-LMVFSUKVSA-N
XLogP-3.77
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-3.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate?
The IUPAC name of (2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate (CID 7006473) is (2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate.
What is the SMILES notation for (2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate?
The canonical SMILES for (2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate is C[C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])[C@@H](C)O.
What is the InChIKey of (2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate?
The InChIKey is BUQICHWNXBIBOG-LMVFSUKVSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-3(8)6(11)9-5(4(2)10)7(12)13/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)/t3-,4+,5-/m0/s1.
What are the key properties of (2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate?
(2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate has a molecular weight of 190.20 g/mol, XLogP of -3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate is sourced from PubChem (CID 7006473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).