(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid

C9H15NO4 — CID 93098157

IUPAC(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)[C@H]1C[C@@H]1C)C(=O)O
InChIInChI=1S/C9H15NO4/c1-4-3-6(4)8(12)10-7(5(2)11)9(13)14/h4-7,11H,3H2,1-2H3,(H,10,12)(H,13,14)/t4-,5+,6-,7-/m0/s1
InChIKeyUHBATMQVLULPAP-VZFHVOOUSA-N
MW201.22 g/mol
LogP-0.41
Rot. Bonds4

About (2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid

(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid (PubChem CID 93098157) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid
PubChem CID93098157
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)[C@H]1C[C@@H]1C)C(=O)O
InChIInChI=1S/C9H15NO4/c1-4-3-6(4)8(12)10-7(5(2)11)9(13)14/h4-7,11H,3H2,1-2H3,(H,10,12)(H,13,14)/t4-,5+,6-,7-/m0/s1
InChIKeyUHBATMQVLULPAP-VZFHVOOUSA-N
XLogP-0.41
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid (CID 93098157) is (2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid is C[C@@H](O)[C@H](NC(=O)[C@H]1C[C@@H]1C)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid?
The InChIKey is UHBATMQVLULPAP-VZFHVOOUSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-3-6(4)8(12)10-7(5(2)11)9(13)14/h4-7,11H,3H2,1-2H3,(H,10,12)(H,13,14)/t4-,5+,6-,7-/m0/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid has a molecular weight of 201.22 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 93098157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).