2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid

C13H22N2O4 — CID 114114298

IUPAC2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid
SMILESCC1(NC(=O)N(CC(=O)O)CC2CC2)CCCOC1
InChIInChI=1S/C13H22N2O4/c1-13(5-2-6-19-9-13)14-12(18)15(8-11(16)17)7-10-3-4-10/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyYTGKZVBKUWEHJO-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds5

About 2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid (PubChem CID 114114298) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid
PubChem CID114114298
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid
SMILESCC1(NC(=O)N(CC(=O)O)CC2CC2)CCCOC1
InChIInChI=1S/C13H22N2O4/c1-13(5-2-6-19-9-13)14-12(18)15(8-11(16)17)7-10-3-4-10/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyYTGKZVBKUWEHJO-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid
CID 114114263
2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid
CID 79878621
3-[tert-butyl-[(3-methyloxolan-3-yl)carbamoyl]amino]propanoic acid
CID 113482234
2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid
CID 64686451
(3-methyloxan-3-yl)urea
CID 103895709
2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114113509
2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid
CID 83113643
N-(cyclopropylmethyl)-3-methyloxan-3-amine
CID 103897448
2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid
CID 107164823
2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide
CID 103899257
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594
2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 113410869

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid (CID 114114298) is 2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid is CC1(NC(=O)N(CC(=O)O)CC2CC2)CCCOC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is YTGKZVBKUWEHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(5-2-6-19-9-13)14-12(18)15(8-11(16)17)7-10-3-4-10/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 114114298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).