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

C11H21N3O3 — CID 83121587

IUPAC2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
SMILESCN(C)C1(CNC(=O)NCC(=O)O)CCCC1
InChIInChI=1S/C11H21N3O3/c1-14(2)11(5-3-4-6-11)8-13-10(17)12-7-9(15)16/h3-8H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyBZQNGKHQTSBROA-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.24
Rot. Bonds5

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

2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid (PubChem CID 83121587) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
PubChem CID83121587
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
SMILESCN(C)C1(CNC(=O)NCC(=O)O)CCCC1
InChIInChI=1S/C11H21N3O3/c1-14(2)11(5-3-4-6-11)8-13-10(17)12-7-9(15)16/h3-8H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyBZQNGKHQTSBROA-UHFFFAOYSA-N
XLogP0.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
CID 83120548
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 83113826
(E)-4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-oxobut-2-enoic acid
CID 83121179
4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid
CID 83114202
2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid
CID 83113825
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 105419531
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid
CID 83121061
1-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]cyclobutane-1-carboxamide
CID 83111018
3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea
CID 113223972

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid?
The IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid (CID 83121587) is 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid is CN(C)C1(CNC(=O)NCC(=O)O)CCCC1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid?
The InChIKey is BZQNGKHQTSBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-14(2)11(5-3-4-6-11)8-13-10(17)12-7-9(15)16/h3-8H2,1-2H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid?
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid has a molecular weight of 243.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid is sourced from PubChem (CID 83121587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).