2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid

C15H25NO5 — CID 68713434

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid
SMILESCC(C)(C)OC(=O)NC(C)(CC1CCC(=O)CC1)C(=O)O
InChIInChI=1S/C15H25NO5/c1-14(2,3)21-13(20)16-15(4,12(18)19)9-10-5-7-11(17)8-6-10/h10H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyOULKCWZZLMEYSB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.50
Rot. Bonds4

About 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid

2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid (PubChem CID 68713434) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid
PubChem CID68713434
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid
SMILESCC(C)(C)OC(=O)NC(C)(CC1CCC(=O)CC1)C(=O)O
InChIInChI=1S/C15H25NO5/c1-14(2,3)21-13(20)16-15(4,12(18)19)9-10-5-7-11(17)8-6-10/h10H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyOULKCWZZLMEYSB-UHFFFAOYSA-N
XLogP2.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(4-oxocyclohexyl)propan-2-yl]carbamate
CID 67075173
(2S)-2-amino-3-cyclohexyl-2-methylpropanoic acid;(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 162214178
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
(2R)-4-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 87361724
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid
CID 87242771
2,2-bis(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106490227
tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate
CID 84726052
(2S)-2-[[(1S)-1-acetyloxyethoxy]carbonylamino]-3-cyclopentyl-2-methylpropanoic acid
CID 67172552
3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 104866483
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 53398095
5-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10752948
(2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid
CID 168861076

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid (CID 68713434) is 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid is CC(C)(C)OC(=O)NC(C)(CC1CCC(=O)CC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid?
The InChIKey is OULKCWZZLMEYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-14(2,3)21-13(20)16-15(4,12(18)19)9-10-5-7-11(17)8-6-10/h10H,5-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid?
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid is sourced from PubChem (CID 68713434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).