2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane

C14H29NO4 — CID 158576303

IUPAC2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane
SMILESC.CCC.O=COCN(CC(=O)O)C1CCCCC1
InChIInChI=1S/C10H17NO4.C3H8.CH4/c12-8-15-7-11(6-10(13)14)9-4-2-1-3-5-9;1-3-2;/h8-9H,1-7H2,(H,13,14);3H2,1-2H3;1H4
InChIKeyHSRUKYJATGLPLP-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.89
Rot. Bonds6

About 2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane

2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane (PubChem CID 158576303) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane.

Molecular Properties

Compound Name2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane
PubChem CID158576303
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane
SMILESC.CCC.O=COCN(CC(=O)O)C1CCCCC1
InChIInChI=1S/C10H17NO4.C3H8.CH4/c12-8-15-7-11(6-10(13)14)9-4-2-1-3-5-9;1-3-2;/h8-9H,1-7H2,(H,13,14);3H2,1-2H3;1H4
InChIKeyHSRUKYJATGLPLP-UHFFFAOYSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
2-[[(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[2-[[[(1R,2R)-2-[bis(formyloxymethyl)amino]cyclohexyl]-(formyloxymethyl)amino]methyl]heptyl]amino]acetic acid
CID 158670083
2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid
CID 60835424
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[2-aminoethyl(cycloheptyl)amino]acetic acid
CID 117013481
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 60833171
2-[cyclopentyl(nonyl)amino]acetic acid
CID 60835084
2-[formyloxymethyl-[(2R,3R)-2-methyl-3-bicyclo[3.1.1]heptanyl]amino]acetic acid
CID 155763610
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490
2-[cyclopentyl-[3-(methylamino)-3-oxopropyl]amino]acetic acid
CID 62324293

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane?
The IUPAC name of 2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane (CID 158576303) is 2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane.
What is the SMILES notation for 2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane?
The canonical SMILES for 2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane is C.CCC.O=COCN(CC(=O)O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane?
The InChIKey is HSRUKYJATGLPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4.C3H8.CH4/c12-8-15-7-11(6-10(13)14)9-4-2-1-3-5-9;1-3-2;/h8-9H,1-7H2,(H,13,14);3H2,1-2H3;1H4.
What are the key properties of 2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane?
2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane has a molecular weight of 275.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(formyloxymethyl)amino]acetic acid;methane;propane is sourced from PubChem (CID 158576303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).