2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid

C12H20N2O4 — CID 54978439

IUPAC2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)C1CC1)C1CCCO1
InChIInChI=1S/C12H20N2O4/c1-8(10-3-2-6-18-10)13-12(17)14(7-11(15)16)9-4-5-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyMOXVNKXHBAEFOC-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.81
Rot. Bonds5

About 2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid

2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid (PubChem CID 54978439) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid
PubChem CID54978439
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)C1CC1)C1CCCO1
InChIInChI=1S/C12H20N2O4/c1-8(10-3-2-6-18-10)13-12(17)14(7-11(15)16)9-4-5-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyMOXVNKXHBAEFOC-UHFFFAOYSA-N
XLogP0.81
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97078216
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
(3S)-3-[(2S)-oxolan-2-yl]butanoic acid
CID 791005
3-(oxolan-2-yl)butanoic acid
CID 3727496
2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 61198700
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
(E)-4-oxo-4-[1-(oxolan-2-yl)ethylamino]but-2-enoic acid
CID 43533859
2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
CID 61465951
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825
1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096067
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid (CID 54978439) is 2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid is CC(NC(=O)N(CC(=O)O)C1CC1)C1CCCO1.
What is the InChIKey of 2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is MOXVNKXHBAEFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(10-3-2-6-18-10)13-12(17)14(7-11(15)16)9-4-5-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 54978439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).