3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid

C12H23N3O4 — CID 106917240

IUPAC3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)CC(C)C(=O)NC
InChIInChI=1S/C12H23N3O4/c1-5-15(7-6-10(16)17)12(19)14(4)8-9(2)11(18)13-3/h9H,5-8H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyWUUYCSANVJJTQQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.22
Rot. Bonds7

About 3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid

3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid (PubChem CID 106917240) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid
PubChem CID106917240
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)CC(C)C(=O)NC
InChIInChI=1S/C12H23N3O4/c1-5-15(7-6-10(16)17)12(19)14(4)8-9(2)11(18)13-3/h9H,5-8H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyWUUYCSANVJJTQQ-UHFFFAOYSA-N
XLogP0.22
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 55006084
4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid
CID 106917339
3-[ethyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]propanoic acid
CID 54955861
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid
CID 106917295
(2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917286
N,2-dimethyl-3-[methyl-[2-(methylamino)acetyl]amino]propanamide
CID 103812841
2-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917283
2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106916265
N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide
CID 106915065
2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 106915450
3-[[methyl(2-methylbutyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61199676
3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide
CID 103722241

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid (CID 106917240) is 3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)N(C)CC(C)C(=O)NC.
What is the InChIKey of 3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid?
The InChIKey is WUUYCSANVJJTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-5-15(7-6-10(16)17)12(19)14(4)8-9(2)11(18)13-3/h9H,5-8H2,1-4H3,(H,13,18)(H,16,17).
What are the key properties of 3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid?
3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 106917240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).