2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid

C14H25N3O3 — CID 63316974

IUPAC2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid
SMILESCN(CCNC(=O)NC(C(=O)O)C1CC1)C1CCCC1
InChIInChI=1S/C14H25N3O3/c1-17(11-4-2-3-5-11)9-8-15-14(20)16-12(13(18)19)10-6-7-10/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyAKNRKBOKEURTNE-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.02
Rot. Bonds7

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

2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid (PubChem CID 63316974) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid
PubChem CID63316974
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid
SMILESCN(CCNC(=O)NC(C(=O)O)C1CC1)C1CCCC1
InChIInChI=1S/C14H25N3O3/c1-17(11-4-2-3-5-11)9-8-15-14(20)16-12(13(18)19)10-6-7-10/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyAKNRKBOKEURTNE-UHFFFAOYSA-N
XLogP1.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644
(2S)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3-methylbutanoic acid
CID 63316795
(2S,3R)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 104966266
(2S)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 63317153
2-cyclopropyl-2-[2-(diethylamino)ethylcarbamoylamino]acetic acid
CID 62710692
2-cyclopropyl-2-[4-(dimethylamino)butylcarbamoylamino]acetic acid
CID 55107728
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107839935
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 63316569
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62978014
2-cyclohexyl-2-[3-(methylamino)propylcarbamoylamino]acetic acid
CID 61404684
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid (CID 63316974) is 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid is CN(CCNC(=O)NC(C(=O)O)C1CC1)C1CCCC1.
What is the InChIKey of 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid?
The InChIKey is AKNRKBOKEURTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-17(11-4-2-3-5-11)9-8-15-14(20)16-12(13(18)19)10-6-7-10/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid?
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 63316974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).