4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid

C11H21N3O4 — CID 61408256

IUPAC4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
SMILESCN(C(=O)NC(CCO)C(=O)O)C1CCNCC1
InChIInChI=1S/C11H21N3O4/c1-14(8-2-5-12-6-3-8)11(18)13-9(4-7-15)10(16)17/h8-9,12,15H,2-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyPHENRVNNCGJWNX-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.78
Rot. Bonds5

About 4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid

4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid (PubChem CID 61408256) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
PubChem CID61408256
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
SMILESCN(C(=O)NC(CCO)C(=O)O)C1CCNCC1
InChIInChI=1S/C11H21N3O4/c1-14(8-2-5-12-6-3-8)11(18)13-9(4-7-15)10(16)17/h8-9,12,15H,2-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyPHENRVNNCGJWNX-UHFFFAOYSA-N
XLogP-0.78
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 61408490
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826727
4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid
CID 61229307
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 61228929
(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909881
(2S)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827541
(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827539
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid
CID 61408349
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 55004627

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid (CID 61408256) is 4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid is CN(C(=O)NC(CCO)C(=O)O)C1CCNCC1.
What is the InChIKey of 4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid?
The InChIKey is PHENRVNNCGJWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-14(8-2-5-12-6-3-8)11(18)13-9(4-7-15)10(16)17/h8-9,12,15H,2-7H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid?
4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 61408256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).