2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid

C13H23N3O3 — CID 62710044

IUPAC2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCN1CCCC(N(C)C(=O)NC(C(=O)O)C2CC2)C1
InChIInChI=1S/C13H23N3O3/c1-15-7-3-4-10(8-15)16(2)13(19)14-11(12(17)18)9-5-6-9/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyBXWOAXJVBVQUHB-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.59
Rot. Bonds4

About 2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid

2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid (PubChem CID 62710044) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
PubChem CID62710044
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCN1CCCC(N(C)C(=O)NC(C(=O)O)C2CC2)C1
InChIInChI=1S/C13H23N3O3/c1-15-7-3-4-10(8-15)16(2)13(19)14-11(12(17)18)9-5-6-9/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyBXWOAXJVBVQUHB-UHFFFAOYSA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
CID 82002419
(2S)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827541
(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827539
5-methoxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 81086075
2-cyclopropyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63235139
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 62547368
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115165054
2-ethyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 79804578
1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655575
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid (CID 62710044) is 2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid is CN1CCCC(N(C)C(=O)NC(C(=O)O)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is BXWOAXJVBVQUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-15-7-3-4-10(8-15)16(2)13(19)14-11(12(17)18)9-5-6-9/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid?
2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 62710044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).