2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid

C16H28N2O5 — CID 129351320

IUPAC2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)[C@@H](C)OC[C@H]2CCCO2)C1
InChIInChI=1S/C16H28N2O5/c1-3-18(9-15(19)20)13-7-12(8-13)17-16(21)11(2)23-10-14-5-4-6-22-14/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)/t11-,12?,13?,14-/m1/s1
InChIKeyMIIMCSMZRDHVJS-BLYZHGLHSA-N
MW328.41 g/mol
LogP0.62
Rot. Bonds9

About 2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 129351320) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid
PubChem CID129351320
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)[C@@H](C)OC[C@H]2CCCO2)C1
InChIInChI=1S/C16H28N2O5/c1-3-18(9-15(19)20)13-7-12(8-13)17-16(21)11(2)23-10-14-5-4-6-22-14/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)/t11-,12?,13?,14-/m1/s1
InChIKeyMIIMCSMZRDHVJS-BLYZHGLHSA-N
XLogP0.62
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122025324
2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
CID 119224066
2-[ethyl-[3-[1-(oxolan-2-yl)prop-2-ynylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122010631
2-[[3-[2-(azepan-1-yl)propanoylamino]cyclobutyl]-ethylamino]acetic acid
CID 128996384
2-(oxan-2-ylmethoxy)-N-piperidin-3-ylpropanamide
CID 119429154
3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid
CID 119207645
2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122000847
2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119203382
2-[[3-[[(1R)-1-cyclopropylethyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122026475
2-[ethyl-[3-[(2-pentan-3-yloxan-4-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122009364
2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026572
2-[ethyl-[3-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025877

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid (CID 129351320) is 2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)[C@@H](C)OC[C@H]2CCCO2)C1.
What is the InChIKey of 2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is MIIMCSMZRDHVJS-BLYZHGLHSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-3-18(9-15(19)20)13-7-12(8-13)17-16(21)11(2)23-10-14-5-4-6-22-14/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)/t11-,12?,13?,14-/m1/s1.
What are the key properties of 2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 328.41 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 129351320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).