benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate

C14H19NO2 — CID 89365445

IUPACbenzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate
SMILESC=C(C)[C@@H](CC)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-4-13(11(2)3)15-14(16)17-10-12-8-6-5-7-9-12/h5-9,13H,2,4,10H2,1,3H3,(H,15,16)/t13-/m1/s1
InChIKeyCFVHMJGVKVNPLN-CYBMUJFWSA-N
MW233.31 g/mol
LogP3.27
Rot. Bonds5

About benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate

benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate (PubChem CID 89365445) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate
PubChem CID89365445
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namebenzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate
SMILESC=C(C)[C@@H](CC)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-4-13(11(2)3)15-14(16)17-10-12-8-6-5-7-9-12/h5-9,13H,2,4,10H2,1,3H3,(H,15,16)/t13-/m1/s1
InChIKeyCFVHMJGVKVNPLN-CYBMUJFWSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617
(2S)-4-ethyl-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 68714310
(2S)-3-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
CID 59254472
3-(2-methylidenebutylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 103696667
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956
[(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate
CID 10333076
diethyl (2S)-2-(phenylmethoxycarbonylamino)butanedioate
CID 10871014
ethyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130151248
ethyl (2R)-2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoate
CID 7068918
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate (CID 89365445) is benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate is C=C(C)[C@@H](CC)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate?
The InChIKey is CFVHMJGVKVNPLN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-13(11(2)3)15-14(16)17-10-12-8-6-5-7-9-12/h5-9,13H,2,4,10H2,1,3H3,(H,15,16)/t13-/m1/s1.
What are the key properties of benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate?
benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate is sourced from PubChem (CID 89365445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).