(2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid

C13H19NO4 — CID 101394654

IUPAC(2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid
SMILESC=CC(=C1CCCCC1)[C@@H](NC(=O)OC)C(=O)O
InChIInChI=1S/C13H19NO4/c1-3-10(9-7-5-4-6-8-9)11(12(15)16)14-13(17)18-2/h3,11H,1,4-8H2,2H3,(H,14,17)(H,15,16)/t11-/m1/s1
InChIKeyNSKKZIWJYKOAKR-LLVKDONJSA-N
MW253.30 g/mol
LogP2.24
Rot. Bonds4

About (2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid

(2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid (PubChem CID 101394654) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid.

Molecular Properties

Compound Name(2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid
PubChem CID101394654
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name(2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid
SMILESC=CC(=C1CCCCC1)[C@@H](NC(=O)OC)C(=O)O
InChIInChI=1S/C13H19NO4/c1-3-10(9-7-5-4-6-8-9)11(12(15)16)14-13(17)18-2/h3,11H,1,4-8H2,2H3,(H,14,17)(H,15,16)/t11-/m1/s1
InChIKeyNSKKZIWJYKOAKR-LLVKDONJSA-N
XLogP2.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxycarbonylamino)but-3-enoic acid
CID 14135910
methyl N-(1-cyclohexylprop-2-enyl)carbamate
CID 121221949
cyclobutane;methyl prop-2-enoate;hydrate
CID 157183952
(2R)-4-(acetyloxymethyl)-2-(methoxycarbonylamino)-3-methylidenepent-4-enoic acid
CID 101394658
methyl N-(4-oxo-1-phenylhex-5-en-2-yl)carbamate
CID 90853214
3-ethyl-2-(methoxycarbonylamino)pent-4-enoic acid
CID 91316140
3-cyclohexylidene-4-methoxy-4-oxobutanoic acid
CID 12735034
2-amino-2-(methoxycarbonylamino)acetic acid
CID 129058062
(2S)-2-(methoxycarbonylamino)propanoic acid;sulfane
CID 159664208
2-cyclopentylidene-3-methoxy-3-oxopropanoic acid
CID 5324048
methyl N-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]carbamate
CID 59259280
methyl N-[cyano(cyclopentylidene)methyl]carbamate
CID 130011799

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid?
The IUPAC name of (2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid (CID 101394654) is (2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid.
What is the SMILES notation for (2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid?
The canonical SMILES for (2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid is C=CC(=C1CCCCC1)[C@@H](NC(=O)OC)C(=O)O.
What is the InChIKey of (2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid?
The InChIKey is NSKKZIWJYKOAKR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-10(9-7-5-4-6-8-9)11(12(15)16)14-13(17)18-2/h3,11H,1,4-8H2,2H3,(H,14,17)(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid?
(2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid has a molecular weight of 253.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclohexylidene-2-(methoxycarbonylamino)pent-4-enoic acid is sourced from PubChem (CID 101394654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).