tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

C20H30N2O4 — CID 110427475

IUPACtert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C20H30N2O4/c1-19(2,3)26-18(24)22-16(13-15-9-5-4-6-10-15)17(23)21-14-20(25)11-7-8-12-20/h4-6,9-10,16,25H,7-8,11-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWRFUPFXJYCSMAN-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.54
Rot. Bonds6

About tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 110427475) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID110427475
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C20H30N2O4/c1-19(2,3)26-18(24)22-16(13-15-9-5-4-6-10-15)17(23)21-14-20(25)11-7-8-12-20/h4-6,9-10,16,25H,7-8,11-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWRFUPFXJYCSMAN-UHFFFAOYSA-N
XLogP2.54
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-1-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]butylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10918947
tert-butyl N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 546148
2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetic acid
CID 7014899
tert-butyl N-[(2S)-1-(2,2-dimethylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 123799196
tert-butyl N-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15225080
2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetate
CID 7014898
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate
CID 51108543
tert-butyl N-[(2S)-1-[[(Z)-6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]hex-3-enyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 102207573
methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 101197830
methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 7452250
(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 14020970
tert-butyl N-[1-[(2-methyl-2-pyrrolidin-1-ylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 110413926

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 110427475) is tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NCC1(O)CCCC1.
What is the InChIKey of tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is WRFUPFXJYCSMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-19(2,3)26-18(24)22-16(13-15-9-5-4-6-10-15)17(23)21-14-20(25)11-7-8-12-20/h4-6,9-10,16,25H,7-8,11-14H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 362.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 110427475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).