4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid

C13H25N3O4 — CID 107839935

IUPAC4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid
SMILESCN(CCNC(=O)NCCC(O)C(=O)O)C1CCCC1
InChIInChI=1S/C13H25N3O4/c1-16(10-4-2-3-5-10)9-8-15-13(20)14-7-6-11(17)12(18)19/h10-11,17H,2-9H2,1H3,(H,18,19)(H2,14,15,20)
InChIKeyXVGFFBLZWALUPQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.00
Rot. Bonds8

About 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid

4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107839935) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid
PubChem CID107839935
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid
SMILESCN(CCNC(=O)NCCC(O)C(=O)O)C1CCCC1
InChIInChI=1S/C13H25N3O4/c1-16(10-4-2-3-5-10)9-8-15-13(20)14-7-6-11(17)12(18)19/h10-11,17H,2-9H2,1H3,(H,18,19)(H2,14,15,20)
InChIKeyXVGFFBLZWALUPQ-UHFFFAOYSA-N
XLogP-0.00
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 104966266
(2S)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3-methylbutanoic acid
CID 63316795
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid
CID 63316974
5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 82013028
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
(2S)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 63317153
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 63316569
4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838455
(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 114007114
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007356
4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840485
(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840486

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid (CID 107839935) is 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid is CN(CCNC(=O)NCCC(O)C(=O)O)C1CCCC1.
What is the InChIKey of 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is XVGFFBLZWALUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-16(10-4-2-3-5-10)9-8-15-13(20)14-7-6-11(17)12(18)19/h10-11,17H,2-9H2,1H3,(H,18,19)(H2,14,15,20).
What are the key properties of 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid?
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 287.36 g/mol, XLogP of -0.00, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107839935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).