7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid

C15H28N2O4 — CID 102633440

IUPAC7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid
SMILESCN(C(=O)NCCCCCCC(=O)O)C1CCCCC1O
InChIInChI=1S/C15H28N2O4/c1-17(12-8-5-6-9-13(12)18)15(21)16-11-7-3-2-4-10-14(19)20/h12-13,18H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyVYIPDCALZMSFSA-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.97
Rot. Bonds8

About 7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid

7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid (PubChem CID 102633440) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid
PubChem CID102633440
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid
SMILESCN(C(=O)NCCCCCCC(=O)O)C1CCCCC1O
InChIInChI=1S/C15H28N2O4/c1-17(12-8-5-6-9-13(12)18)15(21)16-11-7-3-2-4-10-14(19)20/h12-13,18H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyVYIPDCALZMSFSA-UHFFFAOYSA-N
XLogP1.97
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
CID 61201091
7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid
CID 62547378
2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid
CID 102633495
6-(dipropylcarbamoylamino)hexanoic acid
CID 61181306
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid
CID 102865277
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid
CID 105419709
4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122028067
7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid
CID 61438953
6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid
CID 120522460
4-[[[[(1R,2R)-2-hydroxycyclopentyl]-methylcarbamoyl]amino]methyl]benzoic acid
CID 122020422
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054

Frequently Asked Questions

What is the IUPAC name of 7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid?
The IUPAC name of 7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid (CID 102633440) is 7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid is CN(C(=O)NCCCCCCC(=O)O)C1CCCCC1O.
What is the InChIKey of 7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid?
The InChIKey is VYIPDCALZMSFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-17(12-8-5-6-9-13(12)18)15(21)16-11-7-3-2-4-10-14(19)20/h12-13,18H,2-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid?
7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid is sourced from PubChem (CID 102633440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).