2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid

C12H20N2O3 — CID 43655845

IUPAC2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)N1CCCCC1
InChIInChI=1S/C12H20N2O3/c15-11(16)9-14(8-10-4-5-10)12(17)13-6-2-1-3-7-13/h10H,1-9H2,(H,15,16)
InChIKeyARFXNQNDSUORRG-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.39
Rot. Bonds4

About 2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid

2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid (PubChem CID 43655845) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
PubChem CID43655845
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)N1CCCCC1
InChIInChI=1S/C12H20N2O3/c15-11(16)9-14(8-10-4-5-10)12(17)13-6-2-1-3-7-13/h10H,1-9H2,(H,15,16)
InChIKeyARFXNQNDSUORRG-UHFFFAOYSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid (CID 43655845) is 2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid?
The InChIKey is ARFXNQNDSUORRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(16)9-14(8-10-4-5-10)12(17)13-6-2-1-3-7-13/h10H,1-9H2,(H,15,16).
What are the key properties of 2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 43655845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).