2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid

C13H24N4O4 — CID 107438309

IUPAC2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(CN1CCCCC1)NC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H24N4O4/c1-10(7-16-5-3-2-4-6-16)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)
InChIKeyUHQSORRCBLIVPD-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.56
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 107438309) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
PubChem CID107438309
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(CN1CCCCC1)NC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H24N4O4/c1-10(7-16-5-3-2-4-6-16)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)
InChIKeyUHQSORRCBLIVPD-UHFFFAOYSA-N
XLogP-0.56
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 ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid with MolForge

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Related Compounds

2-[(2-amino-2-oxoethyl)-(1-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 107438810
2-methyl-3-oxo-3-(1-piperidin-1-ylpropan-2-ylamino)propanoic acid
CID 114898104
2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 107439195
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964
2-methyl-3-[methyl(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 55007380
2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid
CID 63066698
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
CID 107438288
3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride
CID 119851496
2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid
CID 104569748

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid (CID 107438309) is 2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid is CC(CN1CCCCC1)NC(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is UHQSORRCBLIVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-10(7-16-5-3-2-4-6-16)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)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 300.36 g/mol, XLogP of -0.56, 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)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 107438309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).