(2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid

C14H24N2O5 — CID 107835682

IUPAC(2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid
SMILESNCC1(C(=O)N[C@H](CCCC(=O)O)C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O5/c15-9-14(7-2-1-3-8-14)13(21)16-10(12(19)20)5-4-6-11(17)18/h10H,1-9,15H2,(H,16,21)(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyDKLGZESMHOOFJI-SNVBAGLBSA-N
MW300.36 g/mol
LogP0.72
Rot. Bonds8

About (2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid

(2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid (PubChem CID 107835682) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid
PubChem CID107835682
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid
SMILESNCC1(C(=O)N[C@H](CCCC(=O)O)C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O5/c15-9-14(7-2-1-3-8-14)13(21)16-10(12(19)20)5-4-6-11(17)18/h10H,1-9,15H2,(H,16,21)(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyDKLGZESMHOOFJI-SNVBAGLBSA-N
XLogP0.72
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid
CID 113311657
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid
CID 115443988
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanedioic acid
CID 115444316
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid
CID 82847028
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107825006
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanoic acid
CID 115443955
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
CID 113309539
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 104685703
(2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid
CID 107839454
5-amino-2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-5-oxopentanoic acid
CID 115439361

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid?
The IUPAC name of (2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid (CID 107835682) is (2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid is NCC1(C(=O)N[C@H](CCCC(=O)O)C(=O)O)CCCCC1.
What is the InChIKey of (2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid?
The InChIKey is DKLGZESMHOOFJI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H24N2O5/c15-9-14(7-2-1-3-8-14)13(21)16-10(12(19)20)5-4-6-11(17)18/h10H,1-9,15H2,(H,16,21)(H,17,18)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid?
(2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid has a molecular weight of 300.36 g/mol, XLogP of 0.72, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid is sourced from PubChem (CID 107835682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).