3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid

C9H18N2O3 — CID 61464849

IUPAC3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(C)C(=O)N(C)C
InChIInChI=1S/C9H18N2O3/c1-6(5-8(12)13)10-7(2)9(14)11(3)4/h6-7,10H,5H2,1-4H3,(H,12,13)
InChIKeyYALYVEYILWFWFV-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.08
Rot. Bonds5

About 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid

3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid (PubChem CID 61464849) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid
PubChem CID61464849
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(C)C(=O)N(C)C
InChIInChI=1S/C9H18N2O3/c1-6(5-8(12)13)10-7(2)9(14)11(3)4/h6-7,10H,5H2,1-4H3,(H,12,13)
InChIKeyYALYVEYILWFWFV-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(propan-2-ylamino)propanamide
CID 43085810
3-[(1-ethoxy-1-oxopropan-2-yl)amino]butanoic acid
CID 61498801
3-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]butanoic acid
CID 62825560
2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid
CID 103247604
3-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64642625
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide
CID 62838445
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108828
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid
CID 103247599
(2R)-N,N-dimethyl-2-(methylcarbamoylamino)propanamide
CID 59006567
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677309
2-[(3-hydroxy-3-methylbutan-2-yl)amino]-N,N-dimethylpropanamide
CID 65337485
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
CID 79249096

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid?
The IUPAC name of 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid (CID 61464849) is 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid.
What is the SMILES notation for 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid?
The canonical SMILES for 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid is CC(CC(=O)O)NC(C)C(=O)N(C)C.
What is the InChIKey of 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid?
The InChIKey is YALYVEYILWFWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(5-8(12)13)10-7(2)9(14)11(3)4/h6-7,10H,5H2,1-4H3,(H,12,13).
What are the key properties of 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid?
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid is sourced from PubChem (CID 61464849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).