2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid

C14H23NO5 — CID 119203382

IUPAC2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid
SMILESCC(OCC1CCCO1)C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C14H23NO5/c1-9(14(17)18)15(11-5-6-11)13(16)10(2)20-8-12-4-3-7-19-12/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyUTICREFJRYCPFY-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.03
Rot. Bonds7

About 2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid

2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid (PubChem CID 119203382) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid
PubChem CID119203382
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid
SMILESCC(OCC1CCCO1)C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C14H23NO5/c1-9(14(17)18)15(11-5-6-11)13(16)10(2)20-8-12-4-3-7-19-12/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyUTICREFJRYCPFY-UHFFFAOYSA-N
XLogP1.03
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid
CID 119207645
3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119232781
N-methyl-2-(oxolan-2-ylmethoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119552771
2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
CID 119224066
N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
CID 48846486
(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
CID 103547787
N-methyl-2-(oxolan-2-ylmethoxy)-N-(3-phenoxypropyl)propanamide
CID 48856030
(2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide
CID 95164985
2-[benzyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119196865
2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid
CID 129351320
3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 119257371
(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
CID 129466161

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid (CID 119203382) is 2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid is CC(OCC1CCCO1)C(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid?
The InChIKey is UTICREFJRYCPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-9(14(17)18)15(11-5-6-11)13(16)10(2)20-8-12-4-3-7-19-12/h9-12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid?
2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119203382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).