2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid

C15H26N2O4 — CID 81108488

IUPAC2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC1(O)CCN(C(=O)NC(C(=O)O)C2CCCCC2)CC1
InChIInChI=1S/C15H26N2O4/c1-15(21)7-9-17(10-8-15)14(20)16-12(13(18)19)11-5-3-2-4-6-11/h11-12,21H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyACZXUTRYXGJTDF-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.58
Rot. Bonds3

About 2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid

2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 81108488) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID81108488
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC1(O)CCN(C(=O)NC(C(=O)O)C2CCCCC2)CC1
InChIInChI=1S/C15H26N2O4/c1-15(21)7-9-17(10-8-15)14(20)16-12(13(18)19)11-5-3-2-4-6-11/h11-12,21H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyACZXUTRYXGJTDF-UHFFFAOYSA-N
XLogP1.58
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid
CID 107405749
2-cyclohexyl-2-[(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190973
3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115681
2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 62697752
2-cyclopropyl-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]acetic acid
CID 55107629
(2R)-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 81115379
2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid
CID 62710695
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid
CID 61199364
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 81115043
(2R)-4-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 114005762
2-cyclopropyl-2-[(4-methylsulfanylazepane-1-carbonyl)amino]acetic acid
CID 114237984

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid (CID 81108488) is 2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid is CC1(O)CCN(C(=O)NC(C(=O)O)C2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is ACZXUTRYXGJTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(21)7-9-17(10-8-15)14(20)16-12(13(18)19)11-5-3-2-4-6-11/h11-12,21H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid?
2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 81108488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).