2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid

C13H21NO4 — CID 114240910

IUPAC2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid
SMILESCC1COCCC1C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C13H21NO4/c1-8-7-18-6-5-10(8)11(15)14-13(2,12(16)17)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBSYFVWUAWHNXED-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.03
Rot. Bonds4

About 2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid (PubChem CID 114240910) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid
PubChem CID114240910
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid
SMILESCC1COCCC1C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C13H21NO4/c1-8-7-18-6-5-10(8)11(15)14-13(2,12(16)17)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBSYFVWUAWHNXED-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79389266
2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071
2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid
CID 81324373
2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
CID 61162345
(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid
CID 152625765
2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 106739615
1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114240909
2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 75483394
2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 63706066
2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid
CID 66719746
N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide
CID 130173977
N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide
CID 114240866

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid (CID 114240910) is 2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid is CC1COCCC1C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid?
The InChIKey is BSYFVWUAWHNXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-8-7-18-6-5-10(8)11(15)14-13(2,12(16)17)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid has a molecular weight of 255.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 114240910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).