4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid

C12H21NO4 — CID 104855855

IUPAC4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-8(2)6-9(12(15)16)7-13-11(14)10-4-3-5-17-10/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t9?,10-/m1/s1
InChIKeyCPUBWHUHPRLFHB-QVDQXJPCSA-N
MW243.30 g/mol
LogP1.03
Rot. Bonds6

About 4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid

4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid (PubChem CID 104855855) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid
PubChem CID104855855
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-8(2)6-9(12(15)16)7-13-11(14)10-4-3-5-17-10/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t9?,10-/m1/s1
InChIKeyCPUBWHUHPRLFHB-QVDQXJPCSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855763
(2S)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103873933
(2R)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103850592
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 104855649
2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
CID 53211445
N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide
CID 70906725
5-methyl-3-[[[(2S)-oxolane-2-carbonyl]amino]methyl]hexanoic acid
CID 104855778
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid
CID 66166616
(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
CID 42255835
3-methyl-2-[(oxane-2-carbonylamino)methyl]butanoic acid
CID 65219907

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid (CID 104855855) is 4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid is CC(C)CC(CNC(=O)[C@H]1CCCO1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid?
The InChIKey is CPUBWHUHPRLFHB-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(2)6-9(12(15)16)7-13-11(14)10-4-3-5-17-10/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t9?,10-/m1/s1.
What are the key properties of 4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid?
4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 104855855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).