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

C15H27N3O3 — CID 83113643

IUPAC2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid
SMILESCN(C)C1(CNC(=O)N(CC(=O)O)CC2CC2)CCCC1
InChIInChI=1S/C15H27N3O3/c1-17(2)15(7-3-4-8-15)11-16-14(21)18(10-13(19)20)9-12-5-6-12/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyBEHBRWGEYQCQEJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds7

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

2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid (PubChem CID 83113643) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid
PubChem CID83113643
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid
SMILESCN(C)C1(CNC(=O)N(CC(=O)O)CC2CC2)CCCC1
InChIInChI=1S/C15H27N3O3/c1-17(2)15(7-3-4-8-15)11-16-14(21)18(10-13(19)20)9-12-5-6-12/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyBEHBRWGEYQCQEJ-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
CID 83120548
2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid
CID 107164823
3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea
CID 113223972
2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid
CID 79878621
5-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688874
2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid
CID 103995923
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587
2-[2-(cyclopropanecarbonylamino)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 103994352
2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 113410869
2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid
CID 61475859
5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide
CID 83110105
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid (CID 83113643) is 2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid is CN(C)C1(CNC(=O)N(CC(=O)O)CC2CC2)CCCC1.
What is the InChIKey of 2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid?
The InChIKey is BEHBRWGEYQCQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-17(2)15(7-3-4-8-15)11-16-14(21)18(10-13(19)20)9-12-5-6-12/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 83113643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).