tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid

C17H26N2O5 — CID 69440258

IUPACtert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid
SMILESCC(C)(C)N(CC[C@H](CO)NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C17H26N2O5/c1-17(2,3)19(16(22)23)10-9-14(11-20)18-15(21)24-12-13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3,(H,18,21)(H,22,23)/t14-/m1/s1
InChIKeyCWULVVMCKIPQMV-CQSZACIVSA-N
MW338.40 g/mol
LogP2.44
Rot. Bonds7

About tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid

tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid (PubChem CID 69440258) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid
PubChem CID69440258
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Nametert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid
SMILESCC(C)(C)N(CC[C@H](CO)NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C17H26N2O5/c1-17(2,3)19(16(22)23)10-9-14(11-20)18-15(21)24-12-13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3,(H,18,21)(H,22,23)/t14-/m1/s1
InChIKeyCWULVVMCKIPQMV-CQSZACIVSA-N
XLogP2.44
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl-[(3R)-4-iodo-3-(phenylmethoxycarbonylamino)butyl]carbamic acid
CID 69437729
benzyl N-[(2S)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 66600444
tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate
CID 23434416
[(2S,5S)-1-hydroxy-6,6-dimethyl-5-(phenylmethoxycarbonylamino)heptan-2-yl]carbamic acid
CID 86339972
benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 54311915
methyl 7-hydroxy-6-(phenylmethoxycarbonylamino)heptanoate
CID 170020317
benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
CID 10380925
[(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid
CID 151722138
benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate
CID 170167802
5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 129219869
benzyl N-[(3S)-1-hydroxy-5-oxohexan-3-yl]carbamate
CID 59066093
benzyl N-[1-(1,3-dioxan-2-yl)-3-hydroxypropan-2-yl]carbamate
CID 21242026

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid?
The IUPAC name of tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid (CID 69440258) is tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid.
What is the SMILES notation for tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid?
The canonical SMILES for tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid is CC(C)(C)N(CC[C@H](CO)NC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid?
The InChIKey is CWULVVMCKIPQMV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-17(2,3)19(16(22)23)10-9-14(11-20)18-15(21)24-12-13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3,(H,18,21)(H,22,23)/t14-/m1/s1.
What are the key properties of tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid?
tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid has a molecular weight of 338.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid is sourced from PubChem (CID 69440258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).