(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid

C12H23N3O4 — CID 107827539

IUPAC(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
SMILESCN1CCCC(N(C)C(=O)N[C@H](CCO)C(=O)O)C1
InChIInChI=1S/C12H23N3O4/c1-14-6-3-4-9(8-14)15(2)12(19)13-10(5-7-16)11(17)18/h9-10,16H,3-8H2,1-2H3,(H,13,19)(H,17,18)/t9?,10-/m1/s1
InChIKeyFEAMDQDWTJXMGK-QVDQXJPCSA-N
MW273.33 g/mol
LogP-0.44
Rot. Bonds5

About (2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid

(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid (PubChem CID 107827539) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
PubChem CID107827539
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
SMILESCN1CCCC(N(C)C(=O)N[C@H](CCO)C(=O)O)C1
InChIInChI=1S/C12H23N3O4/c1-14-6-3-4-9(8-14)15(2)12(19)13-10(5-7-16)11(17)18/h9-10,16H,3-8H2,1-2H3,(H,13,19)(H,17,18)/t9?,10-/m1/s1
InChIKeyFEAMDQDWTJXMGK-QVDQXJPCSA-N
XLogP-0.44
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827541
5-methoxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 81086075
2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
CID 62710044
(2S)-4-hydroxy-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 107827740
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826727
3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
CID 82002419
4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid
CID 61229307
4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61408256
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 61228929
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115165054

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid (CID 107827539) is (2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid is CN1CCCC(N(C)C(=O)N[C@H](CCO)C(=O)O)C1.
What is the InChIKey of (2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid?
The InChIKey is FEAMDQDWTJXMGK-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-14-6-3-4-9(8-14)15(2)12(19)13-10(5-7-16)11(17)18/h9-10,16H,3-8H2,1-2H3,(H,13,19)(H,17,18)/t9?,10-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid?
(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid has a molecular weight of 273.33 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 107827539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).