5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid

C14H23NO4 — CID 62963883

IUPAC5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H23NO4/c1-10(7-14(17)18)6-13(16)15(12-2-3-12)8-11-4-5-19-9-11/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyMYPBEUDMXZVMGW-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds7

About 5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid

5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62963883) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62963883
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H23NO4/c1-10(7-14(17)18)6-13(16)15(12-2-3-12)8-11-4-5-19-9-11/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyMYPBEUDMXZVMGW-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964406
6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid
CID 54876447
2-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 110875799
N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(oxolan-3-ylmethyl)acetamide
CID 112604701
(2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82963767
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86989385
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
4-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-2-oxoethyl]benzoic acid
CID 129469912
3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86999680

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid (CID 62963883) is 5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N(CC1CCOC1)C1CC1.
What is the InChIKey of 5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is MYPBEUDMXZVMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10(7-14(17)18)6-13(16)15(12-2-3-12)8-11-4-5-19-9-11/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid?
5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 269.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62963883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).