(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid

C14H23NO5 — CID 104928841

IUPAC(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)CC1CCCCCC1)C(=O)O
InChIInChI=1S/C14H23NO5/c16-12(9-10-5-3-1-2-4-6-10)15-11(14(19)20)7-8-13(17)18/h10-11H,1-9H2,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyRHWOHZVUKCOUPJ-NSHDSACASA-N
MW285.34 g/mol
LogP1.78
Rot. Bonds7

About (2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid

(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid (PubChem CID 104928841) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
PubChem CID104928841
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)CC1CCCCCC1)C(=O)O
InChIInChI=1S/C14H23NO5/c16-12(9-10-5-3-1-2-4-6-10)15-11(14(19)20)7-8-13(17)18/h10-11H,1-9H2,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyRHWOHZVUKCOUPJ-NSHDSACASA-N
XLogP1.78
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
2-(3-cyclohexylpropanoylamino)pentanedioic acid
CID 60708364
(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
CID 62676165
(2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039239
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267
2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841
2-[(2-cyclohexylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 43183375
2-[(2-cyclobutylacetyl)amino]butanedioic acid
CID 103162089
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
2-[(2-cyclohexylacetyl)amino]-4-methylsulfonylbutanoic acid
CID 43107936
(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid
CID 107831353

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid?
The IUPAC name of (2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid (CID 104928841) is (2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid is O=C(O)CC[C@H](NC(=O)CC1CCCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid?
The InChIKey is RHWOHZVUKCOUPJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H23NO5/c16-12(9-10-5-3-1-2-4-6-10)15-11(14(19)20)7-8-13(17)18/h10-11H,1-9H2,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid?
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid has a molecular weight of 285.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid is sourced from PubChem (CID 104928841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).