(2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid

C15H25NO4 — CID 59279898

IUPAC(2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid
SMILESC=CC[C@@H](C)COC(=O)N[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C15H25NO4/c1-3-7-11(2)10-20-15(19)16-13(14(17)18)12-8-5-4-6-9-12/h3,11-13H,1,4-10H2,2H3,(H,16,19)(H,17,18)/t11-,13+/m1/s1
InChIKeyOYWZPMJNTHICGI-YPMHNXCESA-N
MW283.37 g/mol
LogP2.96
Rot. Bonds7

About (2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid

(2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid (PubChem CID 59279898) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid
PubChem CID59279898
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid
SMILESC=CC[C@@H](C)COC(=O)N[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C15H25NO4/c1-3-7-11(2)10-20-15(19)16-13(14(17)18)12-8-5-4-6-9-12/h3,11-13H,1,4-10H2,2H3,(H,16,19)(H,17,18)/t11-,13+/m1/s1
InChIKeyOYWZPMJNTHICGI-YPMHNXCESA-N
XLogP2.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.96
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

(2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid
CID 59584889
2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid
CID 66781911
2-cyclohexyl-2-(hept-6-enoxycarbonylamino)acetic acid
CID 66782617
(2S)-2-cyclohexyl-2-[[(1R,2R)-2-prop-2-enoxycyclopentyl]oxycarbonylamino]acetic acid
CID 68664954
2-[[1-[2-cyclohexyl-2-(2,2-dimethylpropoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]pent-4-enoic acid
CID 143688986
2-cyclopentyl-2-(prop-2-enylamino)acetic acid
CID 62352508
(2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]amino]-4-methylpentanoyl]amino]-2-oxohexanoyl]amino]acetyl]amino]pent-4-enoic acid
CID 89390569
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
(2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid
CID 118983364
(2S)-2-[[(1R,2S)-2-but-3-enyl-1-methylcyclopentyl]oxycarbonylamino]-2-cyclopentylacetic acid
CID 66828478
pentyl 2-(but-3-enoxycarbonylamino)-2-cyclohexylacetate
CID 91734175
(2S)-1-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 11501269

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid?
The IUPAC name of (2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid (CID 59279898) is (2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid.
What is the SMILES notation for (2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid?
The canonical SMILES for (2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid is C=CC[C@@H](C)COC(=O)N[C@H](C(=O)O)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid?
The InChIKey is OYWZPMJNTHICGI-YPMHNXCESA-N. The full InChI is InChI=1S/C15H25NO4/c1-3-7-11(2)10-20-15(19)16-13(14(17)18)12-8-5-4-6-9-12/h3,11-13H,1,4-10H2,2H3,(H,16,19)(H,17,18)/t11-,13+/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid?
(2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid is sourced from PubChem (CID 59279898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).