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

C12H21NO4 — CID 104964524

IUPAC(2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-6(14)7(10(16)17)13-9(15)8-11(2,3)12(8,4)5/h6-8,14H,1-5H3,(H,13,15)(H,16,17)/t6-,7+/m1/s1
InChIKeyGDEVTHIQILXNSY-RQJHMYQMSA-N
MW243.30 g/mol
LogP0.62
Rot. Bonds4

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

(2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid (PubChem CID 104964524) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
PubChem CID104964524
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-6(14)7(10(16)17)13-9(15)8-11(2,3)12(8,4)5/h6-8,14H,1-5H3,(H,13,15)(H,16,17)/t6-,7+/m1/s1
InChIKeyGDEVTHIQILXNSY-RQJHMYQMSA-N
XLogP0.62
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ile-Thr
CID 18218220
Leucylthreonine
CID 18218222
L-Isoleucyl-L-threonine
CID 44298493
Leu-Thr
CID 10353878
(2~{S},3~{R})-2-acetamido-4-methyl-3-oxidanyl-pentanoic acid
CID 138491444
N-isovalerylthreonine
CID 29902551
Leu-Gly-Thr
CID 9835617
Ile-Thr-Thr
CID 9858850
Leu-Thr-Ser
CID 25253315
Gly-Ile-Thr
CID 51038412
Ala-Leu-Thr
CID 71351467
Leu-Val-Thr
CID 71407900

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid (CID 104964524) is (2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid is C[C@@H](O)[C@H](NC(=O)C1C(C)(C)C1(C)C)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is GDEVTHIQILXNSY-RQJHMYQMSA-N. The full InChI is InChI=1S/C12H21NO4/c1-6(14)7(10(16)17)13-9(15)8-11(2,3)12(8,4)5/h6-8,14H,1-5H3,(H,13,15)(H,16,17)/t6-,7+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 243.30 g/mol, XLogP of 0.62, 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-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 104964524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).