4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid

C12H22N2O4 — CID 64890682

IUPAC4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)N(CCO)C1CCCC1
InChIInChI=1S/C12H22N2O4/c13-10(5-6-11(16)17)12(18)14(7-8-15)9-3-1-2-4-9/h9-10,15H,1-8,13H2,(H,16,17)
InChIKeyQFDIVHLJOIMYEQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.06
Rot. Bonds7

About 4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid

4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid (PubChem CID 64890682) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
PubChem CID64890682
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)N(CCO)C1CCCC1
InChIInChI=1S/C12H22N2O4/c13-10(5-6-11(16)17)12(18)14(7-8-15)9-3-1-2-4-9/h9-10,15H,1-8,13H2,(H,16,17)
InChIKeyQFDIVHLJOIMYEQ-UHFFFAOYSA-N
XLogP-0.06
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 64890671
4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid
CID 64894822
(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 78985362
(2S)-2-amino-N-cyclopropyl-N-(2-hydroxyethyl)hexanamide
CID 103951026
2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60952653
(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 113353384
4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
CID 64895995
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 102861908
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
(2S)-2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 61154056
(2R)-2-amino-N-cyclopentyl-N-(3-methylbutyl)pentanamide
CID 103795443
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)propanamide
CID 60949797

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid (CID 64890682) is 4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)N(CCO)C1CCCC1.
What is the InChIKey of 4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid?
The InChIKey is QFDIVHLJOIMYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c13-10(5-6-11(16)17)12(18)14(7-8-15)9-3-1-2-4-9/h9-10,15H,1-8,13H2,(H,16,17).
What are the key properties of 4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid?
4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64890682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).