2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid

C12H23N3O3 — CID 83120548

IUPAC2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H23N3O3/c1-14(2)12(6-4-5-7-12)9-13-11(18)15(3)8-10(16)17/h4-9H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyGAYWKLDBTGBDAA-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.59
Rot. Bonds5

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

2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid (PubChem CID 83120548) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
PubChem CID83120548
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H23N3O3/c1-14(2)12(6-4-5-7-12)9-13-11(18)15(3)8-10(16)17/h4-9H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyGAYWKLDBTGBDAA-UHFFFAOYSA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid
CID 83113643
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587
3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea
CID 113223972
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid
CID 83114202
3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
CID 105416372
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
1-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]cyclobutane-1-carboxamide
CID 83111018
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499360
5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid
CID 103262326
5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933876

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid (CID 83120548) is 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid is CN(CC(=O)O)C(=O)NCC1(N(C)C)CCCC1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid?
The InChIKey is GAYWKLDBTGBDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-14(2)12(6-4-5-7-12)9-13-11(18)15(3)8-10(16)17/h4-9H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid?
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid is sourced from PubChem (CID 83120548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).