(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid

C14H25N3O4 — CID 107830466

IUPAC(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)NC1CCCCCCC1)C(=O)O
InChIInChI=1S/C14H25N3O4/c15-12(18)9-8-11(13(19)20)17-14(21)16-10-6-4-2-1-3-5-7-10/h10-11H,1-9H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t11-/m1/s1
InChIKeyHRRNKHTYNPAIMK-LLVKDONJSA-N
MW299.37 g/mol
LogP1.12
Rot. Bonds6

About (2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 107830466) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
PubChem CID107830466
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)NC1CCCCCCC1)C(=O)O
InChIInChI=1S/C14H25N3O4/c15-12(18)9-8-11(13(19)20)17-14(21)16-10-6-4-2-1-3-5-7-10/h10-11H,1-9H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t11-/m1/s1
InChIKeyHRRNKHTYNPAIMK-LLVKDONJSA-N
XLogP1.12
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710
(2S)-5-amino-5-oxo-2-(thian-3-ylcarbamoylamino)pentanoic acid
CID 113364258
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid
CID 107838293
5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 64743920
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61408424
(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
CID 62406706
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid
CID 61201562
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid (CID 107830466) is (2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)NC1CCCCCCC1)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is HRRNKHTYNPAIMK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N3O4/c15-12(18)9-8-11(13(19)20)17-14(21)16-10-6-4-2-1-3-5-7-10/h10-11H,1-9H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t11-/m1/s1.
What are the key properties of (2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107830466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).