2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid

C12H21NO3 — CID 114995613

IUPAC2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
SMILESCC(NCC1CCCCO1)(C(=O)O)C1CC1
InChIInChI=1S/C12H21NO3/c1-12(11(14)15,9-5-6-9)13-8-10-4-2-3-7-16-10/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyRCNZMDBFWGYZDV-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.40
Rot. Bonds5

About 2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid

2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid (PubChem CID 114995613) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
PubChem CID114995613
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
SMILESCC(NCC1CCCCO1)(C(=O)O)C1CC1
InChIInChI=1S/C12H21NO3/c1-12(11(14)15,9-5-6-9)13-8-10-4-2-3-7-16-10/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyRCNZMDBFWGYZDV-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid
CID 63323875
2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid
CID 114998033
2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid
CID 114988242
2,2-dimethyl-3-(oxan-2-ylmethylamino)-3-oxopropanoic acid
CID 82820907
2-methyl-N-(oxan-2-ylmethyl)butan-2-amine
CID 43421983
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709
4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid
CID 60990995
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904
2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65159046
2-amino-2-methyl-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119300308
2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 65377354
N-tert-butyl-2-(oxan-2-ylmethylamino)acetamide
CID 60697952

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid (CID 114995613) is 2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid is CC(NCC1CCCCO1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid?
The InChIKey is RCNZMDBFWGYZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(11(14)15,9-5-6-9)13-8-10-4-2-3-7-16-10/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid?
2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid is sourced from PubChem (CID 114995613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).