[(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid

C18H34N2O5 — CID 146629734

IUPAC[(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid
SMILESCC[C@@H](NC(=O)O)C(CO)CC1(CCNC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C18H34N2O5/c1-5-14(20-15(22)23)13(12-21)11-18(7-6-8-18)9-10-19-16(24)25-17(2,3)4/h13-14,20-21H,5-12H2,1-4H3,(H,19,24)(H,22,23)/t13?,14-/m1/s1
InChIKeyJRLACCDQITVYJG-ARLHGKGLSA-N
MW358.48 g/mol
LogP3.12
Rot. Bonds9

About [(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid

[(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid (PubChem CID 146629734) has the molecular formula C18H34N2O5 and a molecular weight of 358.48 g/mol. Its IUPAC name is [(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid
PubChem CID146629734
Molecular FormulaC18H34N2O5
Molecular Weight358.48 g/mol
Exact Mass358.25
IUPAC Name[(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid
SMILESCC[C@@H](NC(=O)O)C(CO)CC1(CCNC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C18H34N2O5/c1-5-14(20-15(22)23)13(12-21)11-18(7-6-8-18)9-10-19-16(24)25-17(2,3)4/h13-14,20-21H,5-12H2,1-4H3,(H,19,24)(H,22,23)/t13?,14-/m1/s1
InChIKeyJRLACCDQITVYJG-ARLHGKGLSA-N
XLogP3.12
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid with MolForge

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Related Compounds

[1-(1,3-dioxoisoindol-2-yl)-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid
CID 146629893
tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate
CID 166763247
tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate
CID 115358654
tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate
CID 170190807
tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate
CID 84703390
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
tert-butyl N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]carbamate
CID 115671394
tert-butyl N-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]butan-2-yl]carbamate
CID 107250152
tert-butyl N-[(2R,3S)-2-(hydroxymethyl)-3-methylpentyl]carbamate
CID 75365792
tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate
CID 103821958
tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate
CID 155893880
tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
CID 121207999

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid (CID 146629734) is [(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid is CC[C@@H](NC(=O)O)C(CO)CC1(CCNC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of [(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid?
The InChIKey is JRLACCDQITVYJG-ARLHGKGLSA-N. The full InChI is InChI=1S/C18H34N2O5/c1-5-14(20-15(22)23)13(12-21)11-18(7-6-8-18)9-10-19-16(24)25-17(2,3)4/h13-14,20-21H,5-12H2,1-4H3,(H,19,24)(H,22,23)/t13?,14-/m1/s1.
What are the key properties of [(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid?
[(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid has a molecular weight of 358.48 g/mol, XLogP of 3.12, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid is sourced from PubChem (CID 146629734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).