2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid

C10H19NO3 — CID 143247679

IUPAC2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid
SMILESCC(C)NC1CCOC(CC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-7(2)11-8-3-4-14-9(5-8)6-10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyRZHMZTIVMFYSIM-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds4

About 2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid

2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid (PubChem CID 143247679) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid
PubChem CID143247679
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid
SMILESCC(C)NC1CCOC(CC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-7(2)11-8-3-4-14-9(5-8)6-10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyRZHMZTIVMFYSIM-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminooxan-2-yl)acetic acid;hydrochloride
CID 154856623
2-[(2S,4S)-2-ethyloxan-4-yl]acetic acid
CID 95335801
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
2-[4-(trifluoromethyl)oxan-2-yl]acetic acid
CID 164905433
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127
2-[2-[[2-(2-methylpropyl)oxan-4-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 120551251
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
acetonitrile;2-(oxolan-2-yl)acetic acid
CID 67212386
2-[(2S,4S)-2-aminooxan-4-yl]acetic acid
CID 129391535
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119248775
cis-(1R,3S)-3-(propan-2-ylamino)cyclopentan-1-ol
CID 130990833

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid?
The IUPAC name of 2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid (CID 143247679) is 2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid?
The canonical SMILES for 2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid is CC(C)NC1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid?
The InChIKey is RZHMZTIVMFYSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)11-8-3-4-14-9(5-8)6-10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid?
2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid has a molecular weight of 201.27 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-[4-(propan-2-ylamino)oxan-2-yl]acetic acid is sourced from PubChem (CID 143247679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).