tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate

C19H34N2O5 — CID 124863170

IUPACtert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate
SMILESCC(C)NC(=O)CCCC(=O)NC[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[C@H]1O
InChIInChI=1S/C19H34N2O5/c1-12(2)21-17(24)8-6-7-16(23)20-11-14-9-13(10-15(14)22)18(25)26-19(3,4)5/h12-15,22H,6-11H2,1-5H3,(H,20,23)(H,21,24)/t13-,14+,15-/m1/s1
InChIKeyQWOGJAGDYSSGPR-QLFBSQMISA-N
MW370.49 g/mol
LogP1.53
Rot. Bonds8

About tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate

tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate (PubChem CID 124863170) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate
PubChem CID124863170
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Nametert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate
SMILESCC(C)NC(=O)CCCC(=O)NC[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[C@H]1O
InChIInChI=1S/C19H34N2O5/c1-12(2)21-17(24)8-6-7-16(23)20-11-14-9-13(10-15(14)22)18(25)26-19(3,4)5/h12-15,22H,6-11H2,1-5H3,(H,20,23)(H,21,24)/t13-,14+,15-/m1/s1
InChIKeyQWOGJAGDYSSGPR-QLFBSQMISA-N
XLogP1.53
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate with MolForge

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Related Compounds

tert-butyl (1S,3R,4S)-3-[[[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]methyl]-4-hydroxycyclopentane-1-carboxylate
CID 124862767
methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 178203019
methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate
CID 124583022
tert-butyl 3-[[[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]amino]methyl]-4-hydroxycyclopentane-1-carboxylate
CID 119038010
3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 23443973
N,N'-di(propan-2-yl)decanediamide
CID 58997511
N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 64910772
trans-tert-butyl (3S,4S)-3-amino-4-hydroxycycloheptane-1-carboxylate
CID 155327795
1-O-tert-butyl 3-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984015
tert-butyl (2S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate
CID 81002230
tert-butyl N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]carbamate
CID 153296016
N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate?
The IUPAC name of tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate (CID 124863170) is tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate is CC(C)NC(=O)CCCC(=O)NC[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[C@H]1O.
What is the InChIKey of tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate?
The InChIKey is QWOGJAGDYSSGPR-QLFBSQMISA-N. The full InChI is InChI=1S/C19H34N2O5/c1-12(2)21-17(24)8-6-7-16(23)20-11-14-9-13(10-15(14)22)18(25)26-19(3,4)5/h12-15,22H,6-11H2,1-5H3,(H,20,23)(H,21,24)/t13-,14+,15-/m1/s1.
What are the key properties of tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate?
tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate has a molecular weight of 370.49 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 124863170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).