2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid

C13H21N3O4 — CID 64669638

IUPAC2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCN1CC(NC(=O)N(CC(=O)O)CC2CC2)CCC1=O
InChIInChI=1S/C13H21N3O4/c1-15-7-10(4-5-11(15)17)14-13(20)16(8-12(18)19)6-9-2-3-9/h9-10H,2-8H2,1H3,(H,14,20)(H,18,19)
InChIKeyWVEBHMPORDKDSO-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.11
Rot. Bonds5

About 2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid (PubChem CID 64669638) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
PubChem CID64669638
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCN1CC(NC(=O)N(CC(=O)O)CC2CC2)CCC1=O
InChIInChI=1S/C13H21N3O4/c1-15-7-10(4-5-11(15)17)14-13(20)16(8-12(18)19)6-9-2-3-9/h9-10H,2-8H2,1H3,(H,14,20)(H,18,19)
InChIKeyWVEBHMPORDKDSO-UHFFFAOYSA-N
XLogP0.11
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid (CID 64669638) is 2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid is CN1CC(NC(=O)N(CC(=O)O)CC2CC2)CCC1=O.
What is the InChIKey of 2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is WVEBHMPORDKDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-15-7-10(4-5-11(15)17)14-13(20)16(8-12(18)19)6-9-2-3-9/h9-10H,2-8H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 64669638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).