(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid

C12H21NO4 — CID 65157376

IUPAC(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)CC1CCCO1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-8(2)11(12(15)16)13-10(14)7-9-5-4-6-17-9/h8-9,11H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t8-,9?,11-/m0/s1
InChIKeyGVLQCNXBYDNQND-QCZWPSDZSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds6

About (2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid

(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid (PubChem CID 65157376) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid
PubChem CID65157376
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)CC1CCCO1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-8(2)11(12(15)16)13-10(14)7-9-5-4-6-17-9/h8-9,11H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t8-,9?,11-/m0/s1
InChIKeyGVLQCNXBYDNQND-QCZWPSDZSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate
CID 80706794
(2S)-3-methyl-2-[[2-(thian-4-yl)acetyl]amino]pentanoic acid
CID 83145180
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
CID 65157565
3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 3352161
2-(oxolan-2-yl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977080
2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid
CID 120520784
(2R)-3-methyl-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 79010668
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 79607263
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide
CID 77057681
2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide
CID 103579125
N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide
CID 114300771
3-methyl-2-(oxolan-2-ylmethoxycarbonylamino)butanoic acid
CID 18917778

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid (CID 65157376) is (2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid is CC[C@H](C)[C@H](NC(=O)CC1CCCO1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid?
The InChIKey is GVLQCNXBYDNQND-QCZWPSDZSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-8(2)11(12(15)16)13-10(14)7-9-5-4-6-17-9/h8-9,11H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t8-,9?,11-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid?
(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 65157376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).