(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid

C11H19NO4 — CID 11506879

IUPAC(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid
SMILESC=CC[C@H](CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H19NO4/c1-5-6-8(9(13)14)7-12-10(15)16-11(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKeyKEMMBAWJCLAWOK-MRVPVSSYSA-N
MW229.28 g/mol
LogP1.79
Rot. Bonds5

About (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid

(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid (PubChem CID 11506879) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid
PubChem CID11506879
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid
SMILESC=CC[C@H](CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H19NO4/c1-5-6-8(9(13)14)7-12-10(15)16-11(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKeyKEMMBAWJCLAWOK-MRVPVSSYSA-N
XLogP1.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butanoicacid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, (2R)-
CID 12155293
(2S)-2-((((tert-butoxy)carbonyl)amino)methyl)butanoic acid
CID 51340352
Boc-(S)-3-amino-5-hexenoic acid
CID 2761691
(R)-3-(Boc-amino)-5-hexenoic acid
CID 7009851
2-((((Tert-butoxy)carbonyl)amino)methyl)pent-4-enoic acid
CID 22401194
(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 10680919
(2S,3R)-2-((Tert-butoxycarbonyl)amino)-3-methylpent-4-enoic acid
CID 10751880
cis-2-tert-Butoxycarbonylaminocyclopent-3-ene-1-carboxylic acid
CID 23659269
(Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid
CID 46201502
methyl (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
CID 100957165
Methyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
CID 10244197
Methyl 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-pentenoate
CID 10728929

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid?
The IUPAC name of (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid (CID 11506879) is (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid.
What is the SMILES notation for (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid?
The canonical SMILES for (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid is C=CC[C@H](CNC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid?
The InChIKey is KEMMBAWJCLAWOK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-6-8(9(13)14)7-12-10(15)16-11(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid?
(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid is sourced from PubChem (CID 11506879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).