2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid

C14H25N3O3 — CID 83114452

IUPAC2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
SMILESCN(C)C1(CNC(=O)NC(C(=O)O)C2CC2)CCCC1
InChIInChI=1S/C14H25N3O3/c1-17(2)14(7-3-4-8-14)9-15-13(20)16-11(12(18)19)10-5-6-10/h10-11H,3-9H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyUCPCFAHSYDMGLJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.02
Rot. Bonds6

About 2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid

2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid (PubChem CID 83114452) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
PubChem CID83114452
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
SMILESCN(C)C1(CNC(=O)NC(C(=O)O)C2CC2)CCCC1
InChIInChI=1S/C14H25N3O3/c1-17(2)14(7-3-4-8-14)9-15-13(20)16-11(12(18)19)10-5-6-10/h10-11H,3-9H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyUCPCFAHSYDMGLJ-UHFFFAOYSA-N
XLogP1.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-[(1-ethylcyclopentyl)methylcarbamoylamino]acetic acid
CID 114126135
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
CID 113364251
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
(2S)-4-amino-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-oxobutanoic acid
CID 83113497
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644
(2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid
CID 107146456
2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid
CID 62711231
(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid
CID 107567774
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanedioic acid
CID 105419575
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid
CID 63316974
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pent-4-ynoic acid
CID 105419566
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid (CID 83114452) is 2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid is CN(C)C1(CNC(=O)NC(C(=O)O)C2CC2)CCCC1.
What is the InChIKey of 2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid?
The InChIKey is UCPCFAHSYDMGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-17(2)14(7-3-4-8-14)9-15-13(20)16-11(12(18)19)10-5-6-10/h10-11H,3-9H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid?
2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid is sourced from PubChem (CID 83114452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).