2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid

C14H25N3O3 — CID 62710878

IUPAC2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid
SMILESCCCN1CCC(NC(=O)NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-2-7-17-8-5-11(6-9-17)15-14(20)16-12(13(18)19)10-3-4-10/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyXJRQLSDJTIDDFA-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.02
Rot. Bonds6

About 2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid

2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid (PubChem CID 62710878) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid
PubChem CID62710878
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid
SMILESCCCN1CCC(NC(=O)NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-2-7-17-8-5-11(6-9-17)15-14(20)16-12(13(18)19)10-3-4-10/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyXJRQLSDJTIDDFA-UHFFFAOYSA-N
XLogP1.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid
CID 61199364
3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 81069420
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea
CID 111508109
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea
CID 109390055
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095589
1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea
CID 111508133
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650
N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 61251540
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-propylpiperidin-4-yl)urea
CID 111508128

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid (CID 62710878) is 2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid is CCCN1CCC(NC(=O)NC(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid?
The InChIKey is XJRQLSDJTIDDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-7-17-8-5-11(6-9-17)15-14(20)16-12(13(18)19)10-3-4-10/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid?
2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid is sourced from PubChem (CID 62710878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).