methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate

C17H29NO6 — CID 141298428

IUPACmethyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate
SMILESCCC[C@H](NC(=O)C1CC(O)CC1C(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO6/c1-6-7-13(16(22)24-17(2,3)4)18-14(20)11-8-10(19)9-12(11)15(21)23-5/h10-13,19H,6-9H2,1-5H3,(H,18,20)/t10?,11?,12?,13-/m0/s1
InChIKeyZARFNHKWDICOHI-SKQCGHHBSA-N
MW343.42 g/mol
LogP1.17
Rot. Bonds6

About methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate

methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate (PubChem CID 141298428) has the molecular formula C17H29NO6 and a molecular weight of 343.42 g/mol. Its IUPAC name is methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate
PubChem CID141298428
Molecular FormulaC17H29NO6
Molecular Weight343.42 g/mol
Exact Mass343.20
IUPAC Namemethyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate
SMILESCCC[C@H](NC(=O)C1CC(O)CC1C(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO6/c1-6-7-13(16(22)24-17(2,3)4)18-14(20)11-8-10(19)9-12(11)15(21)23-5/h10-13,19H,6-9H2,1-5H3,(H,18,20)/t10?,11?,12?,13-/m0/s1
InChIKeyZARFNHKWDICOHI-SKQCGHHBSA-N
XLogP1.17
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
tert-butyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
CID 67262844
tert-butyl 2-(2-methylpropylamino)pentanoate
CID 75458085
methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid
CID 88563098
tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate
CID 118011942
(1R,2S,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;methyl (1R,2S,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 157480163
methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate
CID 123187710
tert-butyl (2S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170558282
tert-butyl (2S)-2-[[(1R,2R,4S)-2-[[(2S)-1-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentanecarbonyl]amino]pentanoate
CID 130227884
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150
methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23563635
(2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567313

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate (CID 141298428) is methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate is CCC[C@H](NC(=O)C1CC(O)CC1C(=O)OC)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate?
The InChIKey is ZARFNHKWDICOHI-SKQCGHHBSA-N. The full InChI is InChI=1S/C17H29NO6/c1-6-7-13(16(22)24-17(2,3)4)18-14(20)11-8-10(19)9-12(11)15(21)23-5/h10-13,19H,6-9H2,1-5H3,(H,18,20)/t10?,11?,12?,13-/m0/s1.
What are the key properties of methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate?
methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate has a molecular weight of 343.42 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 141298428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).