2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid

C13H21N3O4 — CID 62710378

IUPAC2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid
SMILESNC(=O)CC1CCN(C(=O)NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C13H21N3O4/c14-10(17)7-8-3-5-16(6-4-8)13(20)15-11(12(18)19)9-1-2-9/h8-9,11H,1-7H2,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyUIOUVHCYCSBMNO-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.15
Rot. Bonds5

About 2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid

2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid (PubChem CID 62710378) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid
PubChem CID62710378
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid
SMILESNC(=O)CC1CCN(C(=O)NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C13H21N3O4/c14-10(17)7-8-3-5-16(6-4-8)13(20)15-11(12(18)19)9-1-2-9/h8-9,11H,1-7H2,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyUIOUVHCYCSBMNO-UHFFFAOYSA-N
XLogP0.15
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid (CID 62710378) is 2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid is NC(=O)CC1CCN(C(=O)NC(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid?
The InChIKey is UIOUVHCYCSBMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c14-10(17)7-8-3-5-16(6-4-8)13(20)15-11(12(18)19)9-1-2-9/h8-9,11H,1-7H2,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid?
2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62710378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).