2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid

C16H29N3O4 — CID 122026572

IUPAC2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(C(C)C)C2CCOC2)C1
InChIInChI=1S/C16H29N3O4/c1-4-18(9-15(20)21)14-7-12(8-14)17-16(22)19(11(2)3)13-5-6-23-10-13/h11-14H,4-10H2,1-3H3,(H,17,22)(H,20,21)
InChIKeyMEMUXDAHZOOEES-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.13
Rot. Bonds7

About 2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 122026572) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid
PubChem CID122026572
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Name2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(C(C)C)C2CCOC2)C1
InChIInChI=1S/C16H29N3O4/c1-4-18(9-15(20)21)14-7-12(8-14)17-16(22)19(11(2)3)13-5-6-23-10-13/h11-14H,4-10H2,1-3H3,(H,17,22)(H,20,21)
InChIKeyMEMUXDAHZOOEES-UHFFFAOYSA-N
XLogP1.13
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[[(2S)-1-[methyl(propan-2-yl)amino]propan-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122014720
2-[[3-[[(1R)-1-cyclopropylethyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122026475
2-[carboxymethyl(oxolan-3-yl)amino]acetic acid
CID 63644632
2-[[3-[(6-cyclobutyl-1,4-oxazepane-4-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122026568
2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122000847
2-[ethyl-[3-(1-methylsulfanylpropan-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122002901
2-[ethyl-[3-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025877
2-[ethyl-[3-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]cyclobutyl]amino]acetic acid
CID 129351320
2-[ethyl-[3-[(2-pentan-3-yloxan-4-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122009364
2-[[3-[[(3-chlorophenyl)methyl-propan-2-ylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026726
2-[ethyl-[3-[[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122025324
2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122070372

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid (CID 122026572) is 2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N(C(C)C)C2CCOC2)C1.
What is the InChIKey of 2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is MEMUXDAHZOOEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-4-18(9-15(20)21)14-7-12(8-14)17-16(22)19(11(2)3)13-5-6-23-10-13/h11-14H,4-10H2,1-3H3,(H,17,22)(H,20,21).
What are the key properties of 2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 327.43 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122026572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).