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

C11H19NO3 — CID 103264157

IUPAC2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid
SMILESCC1(NC(C(=O)O)C2CC2)CCOCC1
InChIInChI=1S/C11H19NO3/c1-11(4-6-15-7-5-11)12-9(10(13)14)8-2-3-8/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyDKLGCDJHXVBONE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.01
Rot. Bonds4

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

2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid (PubChem CID 103264157) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid
PubChem CID103264157
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid
SMILESCC1(NC(C(=O)O)C2CC2)CCOCC1
InChIInChI=1S/C11H19NO3/c1-11(4-6-15-7-5-11)12-9(10(13)14)8-2-3-8/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyDKLGCDJHXVBONE-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride
CID 146194288
2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid
CID 103264171
2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid
CID 130596189
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-cyclohexylacetic acid
CID 115439396
(2R)-2-hydroxy-N-(4-methyloxan-4-yl)propanamide
CID 130718981
3-[(4-methyloxan-4-yl)amino]-2-phenylpropanoic acid
CID 113491071
(2R,5S)-5-[(4-methyloxan-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945713
N-(4-methyloxan-4-yl)-2-sulfanylpropanamide
CID 107035609
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid
CID 79905611
2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid
CID 103267221
2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid
CID 62711233
2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid
CID 65061416

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid (CID 103264157) is 2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid is CC1(NC(C(=O)O)C2CC2)CCOCC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid?
The InChIKey is DKLGCDJHXVBONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(4-6-15-7-5-11)12-9(10(13)14)8-2-3-8/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid?
2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid is sourced from PubChem (CID 103264157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).