2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid

C12H21NO3 — CID 65054609

IUPAC2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid
SMILESCC1CC(N(CC(=O)O)CC2CC2)CCO1
InChIInChI=1S/C12H21NO3/c1-9-6-11(4-5-16-9)13(8-12(14)15)7-10-2-3-10/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyNOGXXUXMQMHYBC-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds5

About 2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid

2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid (PubChem CID 65054609) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid
PubChem CID65054609
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid
SMILESCC1CC(N(CC(=O)O)CC2CC2)CCO1
InChIInChI=1S/C12H21NO3/c1-9-6-11(4-5-16-9)13(8-12(14)15)7-10-2-3-10/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyNOGXXUXMQMHYBC-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458
2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid
CID 65055054
2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid
CID 106824276
2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid
CID 65054656
2-[carboxymethyl-(2-propyloxan-4-yl)amino]acetic acid
CID 65065500
2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid
CID 122041392
2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid
CID 65054464
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid
CID 65055001
2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid
CID 103961392
2-[cyclopropylmethyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894349

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid (CID 65054609) is 2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid is CC1CC(N(CC(=O)O)CC2CC2)CCO1.
What is the InChIKey of 2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid?
The InChIKey is NOGXXUXMQMHYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9-6-11(4-5-16-9)13(8-12(14)15)7-10-2-3-10/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid?
2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid is sourced from PubChem (CID 65054609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).