4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid

C11H20N2O4 — CID 103156988

IUPAC4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)CNCC1CC1)CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-9(4-11(15)16)6-13-10(14)7-12-5-8-2-3-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyMHTKGLUEPHZNQE-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.41
Rot. Bonds9

About 4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid

4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid (PubChem CID 103156988) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid
PubChem CID103156988
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)CNCC1CC1)CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-9(4-11(15)16)6-13-10(14)7-12-5-8-2-3-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyMHTKGLUEPHZNQE-UHFFFAOYSA-N
XLogP-0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid
CID 103157367
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675197
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
CID 103153368
4-(3-aminobutanoylamino)-3-methoxybutanoic acid
CID 103156918
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid
CID 103152614
4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158823
3-methoxy-4-[(2-methylsulfonylacetyl)amino]butanoic acid
CID 103153072
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide
CID 106133696
3-methoxy-4-[(4-methylcyclohexanecarbonyl)amino]butanoic acid
CID 103153013
4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
CID 103153423
4-(4-aminopentanoylamino)-3-methoxybutanoic acid
CID 103157265
2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid
CID 81078544

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid (CID 103156988) is 4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid is COC(CNC(=O)CNCC1CC1)CC(=O)O.
What is the InChIKey of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid?
The InChIKey is MHTKGLUEPHZNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-17-9(4-11(15)16)6-13-10(14)7-12-5-8-2-3-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid?
4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid has a molecular weight of 244.29 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-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103156988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).