5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid

C17H34N2O2 — CID 106806249

IUPAC5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CCCN(C)CC1CCCC1)(NC(C)C)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-5-17(16(20)21,18-14(2)3)11-8-12-19(4)13-15-9-6-7-10-15/h14-15,18H,5-13H2,1-4H3,(H,20,21)
InChIKeyDYYLKADPNLKZFW-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.12
Rot. Bonds10

About 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid

5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 106806249) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID106806249
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CCCN(C)CC1CCCC1)(NC(C)C)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-5-17(16(20)21,18-14(2)3)11-8-12-19(4)13-15-9-6-7-10-15/h14-15,18H,5-13H2,1-4H3,(H,20,21)
InChIKeyDYYLKADPNLKZFW-UHFFFAOYSA-N
XLogP3.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806317
5-[cyclopentylmethyl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254595
2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 106806277
5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806056
5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803389
5-tert-butylsulfanyl-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807286
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806827
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808716
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825256
5-(azepan-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106805653
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63910337

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid (CID 106806249) is 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid is CCC(CCCN(C)CC1CCCC1)(NC(C)C)C(=O)O.
What is the InChIKey of 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is DYYLKADPNLKZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-17(16(20)21,18-14(2)3)11-8-12-19(4)13-15-9-6-7-10-15/h14-15,18H,5-13H2,1-4H3,(H,20,21).
What are the key properties of 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 298.47 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 106806249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).