2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid

C11H20N2O4 — CID 107440104

IUPAC2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid
SMILESCOC1CCCC(N(CC(N)=O)CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-17-9-4-2-3-8(5-9)13(6-10(12)14)7-11(15)16/h8-9H,2-7H2,1H3,(H2,12,14)(H,15,16)
InChIKeyBHHXXMICZKHINV-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.18
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid (PubChem CID 107440104) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid
PubChem CID107440104
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid
SMILESCOC1CCCC(N(CC(N)=O)CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-17-9-4-2-3-8(5-9)13(6-10(12)14)7-11(15)16/h8-9H,2-7H2,1H3,(H2,12,14)(H,15,16)
InChIKeyBHHXXMICZKHINV-UHFFFAOYSA-N
XLogP-0.18
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid
CID 106824276
2-[cyclopentyl-(3-methoxy-2-oxopropyl)amino]acetamide
CID 107507302
2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid
CID 106824294
2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 60834931
cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
CID 853156
(3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107437046
2-[(1R,3S)-3-methoxycyclopentyl]acetamide
CID 66658850
5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid
CID 54988943
2-[(2-cyclohexyl-2-oxoethyl)-cyclopentylamino]acetamide
CID 104750474
2-[(2-amino-2-oxoethyl)-(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 107440798
2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid
CID 57287065
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid (CID 107440104) is 2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid is COC1CCCC(N(CC(N)=O)CC(=O)O)C1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid?
The InChIKey is BHHXXMICZKHINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-17-9-4-2-3-8(5-9)13(6-10(12)14)7-11(15)16/h8-9H,2-7H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(3-methoxycyclohexyl)amino]acetic acid is sourced from PubChem (CID 107440104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).