4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid

C10H20N2O4 — CID 43473540

IUPAC4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid
SMILESCOCC(C)NC(=O)CNCCCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-8(7-16-2)12-9(13)6-11-5-3-4-10(14)15/h8,11H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyJZWJUYREHUFRQV-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.41
Rot. Bonds9

About 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid

4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid (PubChem CID 43473540) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid
PubChem CID43473540
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid
SMILESCOCC(C)NC(=O)CNCCCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-8(7-16-2)12-9(13)6-11-5-3-4-10(14)15/h8,11H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyJZWJUYREHUFRQV-UHFFFAOYSA-N
XLogP-0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
CID 60697071
2-(2,2-difluoroethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115406791
2-(4-methoxybutylamino)-N-pentan-2-ylacetamide
CID 60976896
2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 106401726
4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid
CID 63930297
3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835046
5-hydroxy-N-(1-methoxypropan-2-yl)pentanamide
CID 79199618
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 113293822
3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106277417
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 106285636
4-[[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]butanoic acid
CID 43473634
2-(1-cyclopropylethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60696176

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid (CID 43473540) is 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid is COCC(C)NC(=O)CNCCCC(=O)O.
What is the InChIKey of 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid?
The InChIKey is JZWJUYREHUFRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-8(7-16-2)12-9(13)6-11-5-3-4-10(14)15/h8,11H,3-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid?
4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.41, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 43473540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).