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

C10H18N2O4 — CID 103157367

IUPAC4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)CNC1CC1)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-8(4-10(14)15)5-12-9(13)6-11-7-2-3-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyGWBQJRTXENNZFF-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.66
Rot. Bonds8

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

4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid (PubChem CID 103157367) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid
PubChem CID103157367
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)CNC1CC1)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-8(4-10(14)15)5-12-9(13)6-11-7-2-3-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyGWBQJRTXENNZFF-UHFFFAOYSA-N
XLogP-0.66
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid (CID 103157367) is 4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid is COC(CNC(=O)CNC1CC1)CC(=O)O.
What is the InChIKey of 4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid?
The InChIKey is GWBQJRTXENNZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-8(4-10(14)15)5-12-9(13)6-11-7-2-3-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid?
4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103157367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).