2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid

C13H24N4O4 — CID 107439389

IUPAC2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid
SMILESCN1CCC(CCNC(=O)N(CC(N)=O)CC(=O)O)CC1
InChIInChI=1S/C13H24N4O4/c1-16-6-3-10(4-7-16)2-5-15-13(21)17(8-11(14)18)9-12(19)20/h10H,2-9H2,1H3,(H2,14,18)(H,15,21)(H,19,20)
InChIKeyKJSACKVAIZJJRZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.70
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid (PubChem CID 107439389) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid
PubChem CID107439389
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid
SMILESCN1CCC(CCNC(=O)N(CC(N)=O)CC(=O)O)CC1
InChIInChI=1S/C13H24N4O4/c1-16-6-3-10(4-7-16)2-5-15-13(21)17(8-11(14)18)9-12(19)20/h10H,2-9H2,1H3,(H2,14,18)(H,15,21)(H,19,20)
InChIKeyKJSACKVAIZJJRZ-UHFFFAOYSA-N
XLogP-0.70
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid with MolForge

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Related Compounds

1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 113231664
2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
CID 107438020
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
2-[(2-amino-2-oxoethyl)-(thian-4-ylmethylcarbamoyl)amino]acetic acid
CID 107439301
3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115740928
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263691
N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide
CID 115192169
2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 107439195
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoacetate
CID 114516531
2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
CID 107438506

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid (CID 107439389) is 2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid is CN1CCC(CCNC(=O)N(CC(N)=O)CC(=O)O)CC1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is KJSACKVAIZJJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-16-6-3-10(4-7-16)2-5-15-13(21)17(8-11(14)18)9-12(19)20/h10H,2-9H2,1H3,(H2,14,18)(H,15,21)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 300.36 g/mol, XLogP of -0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 107439389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).