2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid

C12H23N3O3 — CID 64816743

IUPAC2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(CNC(=O)NC1CCCC1C(=O)O)N(C)C
InChIInChI=1S/C12H23N3O3/c1-8(15(2)3)7-13-12(18)14-10-6-4-5-9(10)11(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyZEIRJFOTDUWRIW-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.49
Rot. Bonds5

About 2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid

2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64816743) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64816743
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(CNC(=O)NC1CCCC1C(=O)O)N(C)C
InChIInChI=1S/C12H23N3O3/c1-8(15(2)3)7-13-12(18)14-10-6-4-5-9(10)11(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyZEIRJFOTDUWRIW-UHFFFAOYSA-N
XLogP0.49
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239576
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 105419502
2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 107817216
2-(hexan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64818299
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 103112486
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea
CID 111104304
2-(2-cyclopropylpropanoylamino)cyclopentane-1-carboxylic acid
CID 83146564
2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817864
2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64817528
2-[(4-methylcyclohexyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816374
2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64815987
2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid
CID 62711231

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 64816743) is 2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid is CC(CNC(=O)NC1CCCC1C(=O)O)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is ZEIRJFOTDUWRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(15(2)3)7-13-12(18)14-10-6-4-5-9(10)11(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid?
2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64816743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).