(2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid

C15H25NO5 — CID 107039239

IUPAC(2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid
SMILESCCOC(=O)CC[C@H](NC(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO5/c1-2-21-14(18)9-8-12(15(19)20)16-13(17)10-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,16,17)(H,19,20)/t12-/m0/s1
InChIKeyMNGGHZLAZWXUTI-LBPRGKRZSA-N
MW299.37 g/mol
LogP1.87
Rot. Bonds8

About (2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid

(2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid (PubChem CID 107039239) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid
PubChem CID107039239
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name(2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid
SMILESCCOC(=O)CC[C@H](NC(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO5/c1-2-21-14(18)9-8-12(15(19)20)16-13(17)10-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,16,17)(H,19,20)/t12-/m0/s1
InChIKeyMNGGHZLAZWXUTI-LBPRGKRZSA-N
XLogP1.87
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
(2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid
CID 107039185
(2S)-2-[(2-cyclohexylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63307198
2-[(2-cyclohexylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 43183375
5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 82786150
2-[(2-cyclohexylacetyl)amino]-4-methylsulfonylbutanoic acid
CID 43107936
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267
2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid (CID 107039239) is (2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid is CCOC(=O)CC[C@H](NC(=O)CC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid?
The InChIKey is MNGGHZLAZWXUTI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25NO5/c1-2-21-14(18)9-8-12(15(19)20)16-13(17)10-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,16,17)(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid?
(2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid is sourced from PubChem (CID 107039239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).