5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid

C14H26N2O3 — CID 82689474

IUPAC5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C1CCCCCC1N
InChIInChI=1S/C14H26N2O3/c1-10(7-8-13(17)18)9-16-14(19)11-5-3-2-4-6-12(11)15/h10-12H,2-9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyVPPVBTRUNIDYSU-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.51
Rot. Bonds6

About 5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid

5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid (PubChem CID 82689474) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid
PubChem CID82689474
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C1CCCCCC1N
InChIInChI=1S/C14H26N2O3/c1-10(7-8-13(17)18)9-16-14(19)11-5-3-2-4-6-12(11)15/h10-12H,2-9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyVPPVBTRUNIDYSU-UHFFFAOYSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221074
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 64824640
5-(cyclohexylamino)-4-methylpentanoic acid
CID 82933568
4-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylbutanoic acid
CID 81073388
(2S)-3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107835745
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
CID 82688811
2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide
CID 64822467
(3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
CID 65495163
4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104901378
3-[[(2-aminocyclopentanecarbonyl)amino]methyl]pentanoic acid
CID 81073216

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid (CID 82689474) is 5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)C1CCCCCC1N.
What is the InChIKey of 5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid?
The InChIKey is VPPVBTRUNIDYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(7-8-13(17)18)9-16-14(19)11-5-3-2-4-6-12(11)15/h10-12H,2-9,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid?
5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82689474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).