2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid

C11H19N3O4 — CID 79608340

IUPAC2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCC(NC(=O)N1CCC(CC(=O)O)CC1)C(N)=O
InChIInChI=1S/C11H19N3O4/c1-7(10(12)17)13-11(18)14-4-2-8(3-5-14)6-9(15)16/h7-8H,2-6H2,1H3,(H2,12,17)(H,13,18)(H,15,16)
InChIKeySSKAPXKOXZRZOJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.24
Rot. Bonds4

About 2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid

2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79608340) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
PubChem CID79608340
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCC(NC(=O)N1CCC(CC(=O)O)CC1)C(N)=O
InChIInChI=1S/C11H19N3O4/c1-7(10(12)17)13-11(18)14-4-2-8(3-5-14)6-9(15)16/h7-8H,2-6H2,1H3,(H2,12,17)(H,13,18)(H,15,16)
InChIKeySSKAPXKOXZRZOJ-UHFFFAOYSA-N
XLogP-0.24
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid
CID 103112547
2-[1-(1-ethylsulfanylpropan-2-ylcarbamoyl)piperidin-4-yl]acetic acid
CID 113499280
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
CID 79615727
2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 106215532
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 62062405
(2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927837
3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62210820
2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608907
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616011
2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid
CID 62710378

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid (CID 79608340) is 2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid is CC(NC(=O)N1CCC(CC(=O)O)CC1)C(N)=O.
What is the InChIKey of 2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is SSKAPXKOXZRZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(10(12)17)13-11(18)14-4-2-8(3-5-14)6-9(15)16/h7-8H,2-6H2,1H3,(H2,12,17)(H,13,18)(H,15,16).
What are the key properties of 2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).