5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid

C12H21NO3 — CID 63955131

IUPAC5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(CC1CC1)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H21NO3/c1-3-13(8-10-4-5-10)11(14)6-9(2)7-12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyPMOJZQZRCVEXFG-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.75
Rot. Bonds7

About 5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid

5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 63955131) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID63955131
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(CC1CC1)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H21NO3/c1-3-13(8-10-4-5-10)11(14)6-9(2)7-12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyPMOJZQZRCVEXFG-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 107397516
5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964406
3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63954762
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965425
5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965595
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
N-(cyclopropylmethyl)-N-ethyl-2-(methylamino)acetamide
CID 63954155
3-amino-N-(cyclobutylmethyl)-3-cyclopropyl-N-ethylpropanamide
CID 107398403
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63954013
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63956962

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid (CID 63955131) is 5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid is CCN(CC1CC1)C(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is PMOJZQZRCVEXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-13(8-10-4-5-10)11(14)6-9(2)7-12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid?
5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 63955131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).