1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate

C19H32N2O5Si — CID 71225263

IUPAC1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate
SMILESCC(OC(=O)N[C@@H](CO)CCCNC(=O)OCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H32N2O5Si/c1-15(27(2,3)4)26-19(24)21-17(13-22)11-8-12-20-18(23)25-14-16-9-6-5-7-10-16/h5-7,9-10,15,17,22H,8,11-14H2,1-4H3,(H,20,23)(H,21,24)/t15?,17-/m1/s1
InChIKeySQCYENPEAWWIJS-OMOCHNIRSA-N
MW396.56 g/mol
LogP3.05
Rot. Bonds10

About 1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate

1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate (PubChem CID 71225263) has the molecular formula C19H32N2O5Si and a molecular weight of 396.56 g/mol. Its IUPAC name is 1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate.

Molecular Properties

Compound Name1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate
PubChem CID71225263
Molecular FormulaC19H32N2O5Si
Molecular Weight396.56 g/mol
Exact Mass396.21
IUPAC Name1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate
SMILESCC(OC(=O)N[C@@H](CO)CCCNC(=O)OCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H32N2O5Si/c1-15(27(2,3)4)26-19(24)21-17(13-22)11-8-12-20-18(23)25-14-16-9-6-5-7-10-16/h5-7,9-10,15,17,22H,8,11-14H2,1-4H3,(H,20,23)(H,21,24)/t15?,17-/m1/s1
InChIKeySQCYENPEAWWIJS-OMOCHNIRSA-N
XLogP3.05
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate 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

[(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid
CID 151722138
(3S)-3,7-bis(phenylmethoxycarbonylamino)heptanoic acid
CID 11418942
benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 54311915
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-[(5S)-6-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 158091966
(3R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)heptanoic acid
CID 135375312
benzyl N-(6-methylheptyl)carbamate
CID 59918495
methyl 7-hydroxy-6-(phenylmethoxycarbonylamino)heptanoate
CID 170020317
benzyl N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]carbamate
CID 78896816
benzyl N-[(2S)-1-[[(3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-2-yl]carbamate
CID 131727168
benzyl N-[6-hydroxy-5-[2-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]pent-4-enoylamino]hexyl]carbamate
CID 5064008
benzyl N-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 130376705

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate?
The IUPAC name of 1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate (CID 71225263) is 1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate.
What is the SMILES notation for 1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate?
The canonical SMILES for 1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate is CC(OC(=O)N[C@@H](CO)CCCNC(=O)OCc1ccccc1)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate?
The InChIKey is SQCYENPEAWWIJS-OMOCHNIRSA-N. The full InChI is InChI=1S/C19H32N2O5Si/c1-15(27(2,3)4)26-19(24)21-17(13-22)11-8-12-20-18(23)25-14-16-9-6-5-7-10-16/h5-7,9-10,15,17,22H,8,11-14H2,1-4H3,(H,20,23)(H,21,24)/t15?,17-/m1/s1.
What are the key properties of 1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate?
1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate has a molecular weight of 396.56 g/mol, XLogP of 3.05, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate is sourced from PubChem (CID 71225263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).