3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid

C12H21N3O4 — CID 62669034

IUPAC3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N1CCC(CC(N)=O)CC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-8(11(17)18)7-14-12(19)15-4-2-9(3-5-15)6-10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyBQLCQKORINORQC-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.00
Rot. Bonds5

About 3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid

3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 62669034) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid
PubChem CID62669034
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N1CCC(CC(N)=O)CC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-8(11(17)18)7-14-12(19)15-4-2-9(3-5-15)6-10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyBQLCQKORINORQC-UHFFFAOYSA-N
XLogP0.00
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
CID 114007350
3-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670284
2-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500221
3-(azocane-1-carbonylamino)-2-methylpropanoic acid
CID 62669756
3-(azepane-1-carbonylamino)-2-methylpropanoic acid
CID 62671321
4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 95589080
4-(2-amino-2-oxoethyl)-N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboxamide
CID 94097241
(2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927837
2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid
CID 62710378
3-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-2-methylpropanoic acid
CID 107877477
4-(2-amino-2-oxoethyl)-N-cyclopropylpiperidine-1-carboxamide
CID 86811914
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-2-methylpropanoic acid
CID 115560898

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid (CID 62669034) is 3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid is CC(CNC(=O)N1CCC(CC(N)=O)CC1)C(=O)O.
What is the InChIKey of 3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is BQLCQKORINORQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(11(17)18)7-14-12(19)15-4-2-9(3-5-15)6-10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid?
3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62669034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).