2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid

C11H21N3O3 — CID 62711231

IUPAC2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid
SMILESCC(CNC(=O)NC(C(=O)O)C1CC1)N(C)C
InChIInChI=1S/C11H21N3O3/c1-7(14(2)3)6-12-11(17)13-9(10(15)16)8-4-5-8/h7-9H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyBFBHDXKIHKLOCU-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.10
Rot. Bonds6

About 2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid

2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid (PubChem CID 62711231) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid
PubChem CID62711231
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid
SMILESCC(CNC(=O)NC(C(=O)O)C1CC1)N(C)C
InChIInChI=1S/C11H21N3O3/c1-7(14(2)3)6-12-11(17)13-9(10(15)16)8-4-5-8/h7-9H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyBFBHDXKIHKLOCU-UHFFFAOYSA-N
XLogP0.10
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[2-(dimethylamino)propylamino]acetic acid
CID 103245185
3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid
CID 82003164
2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
CID 103997560
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644
2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid
CID 55108414
2-cyclopropyl-2-[2-(diethylamino)ethylcarbamoylamino]acetic acid
CID 62710692
2-cyclopropyl-2-[4-(dimethylamino)butylcarbamoylamino]acetic acid
CID 55107728
2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
CID 104763656
2-cyclopropyl-2-(4-methylpentylcarbamoylamino)acetic acid
CID 63002690
2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83114452
2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid
CID 62711213
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid
CID 63316974

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid (CID 62711231) is 2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid is CC(CNC(=O)NC(C(=O)O)C1CC1)N(C)C.
What is the InChIKey of 2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid?
The InChIKey is BFBHDXKIHKLOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(14(2)3)6-12-11(17)13-9(10(15)16)8-4-5-8/h7-9H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid?
2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid has a molecular weight of 243.31 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid is sourced from PubChem (CID 62711231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).