2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid

C16H27NO5 — CID 59928733

IUPAC2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid
SMILESCC(CC(CC(C)C(=O)NCC1CCCC1)C(=O)O)C(=O)O
InChIInChI=1S/C16H27NO5/c1-10(14(18)17-9-12-5-3-4-6-12)7-13(16(21)22)8-11(2)15(19)20/h10-13H,3-9H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyRFOHQELYOCPGHB-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.13
Rot. Bonds9

About 2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid

2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid (PubChem CID 59928733) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid.

Molecular Properties

Compound Name2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid
PubChem CID59928733
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid
SMILESCC(CC(CC(C)C(=O)NCC1CCCC1)C(=O)O)C(=O)O
InChIInChI=1S/C16H27NO5/c1-10(14(18)17-9-12-5-3-4-6-12)7-13(16(21)22)8-11(2)15(19)20/h10-13H,3-9H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyRFOHQELYOCPGHB-UHFFFAOYSA-N
XLogP2.13
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic 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

N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
N-(cyclobutylmethyl)-2-methyl-3-(methylamino)propanamide
CID 79196076
3-(cyclohexylmethylamino)-2-(methylamino)-3-oxopropanoic acid
CID 115189452
N-(cyclobutylmethyl)-3-(ethylamino)-2-methylpropanamide
CID 62853240
5-amino-N-(cyclohexylmethyl)-2-methylpentanamide
CID 104683632
4-(cyclopentylmethylamino)-2-methylbutanoic acid
CID 115220780
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
2-(cyclopentylmethylamino)propanoic acid
CID 61344306

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid?
The IUPAC name of 2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid (CID 59928733) is 2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid.
What is the SMILES notation for 2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid?
The canonical SMILES for 2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid is CC(CC(CC(C)C(=O)NCC1CCCC1)C(=O)O)C(=O)O.
What is the InChIKey of 2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid?
The InChIKey is RFOHQELYOCPGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO5/c1-10(14(18)17-9-12-5-3-4-6-12)7-13(16(21)22)8-11(2)15(19)20/h10-13H,3-9H2,1-2H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid?
2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid has a molecular weight of 313.39 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid is sourced from PubChem (CID 59928733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).