3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid

C11H19N3O4 — CID 43466279

IUPAC3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid
SMILESCN(CC(=O)NC1CC1)C(=O)CNCCC(=O)O
InChIInChI=1S/C11H19N3O4/c1-14(7-9(15)13-8-2-3-8)10(16)6-12-5-4-11(17)18/h8,12H,2-7H2,1H3,(H,13,15)(H,17,18)
InChIKeyHAFBMWFAIUIKHO-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.21
Rot. Bonds8

About 3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid

3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid (PubChem CID 43466279) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid
PubChem CID43466279
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid
SMILESCN(CC(=O)NC1CC1)C(=O)CNCCC(=O)O
InChIInChI=1S/C11H19N3O4/c1-14(7-9(15)13-8-2-3-8)10(16)6-12-5-4-11(17)18/h8,12H,2-7H2,1H3,(H,13,15)(H,17,18)
InChIKeyHAFBMWFAIUIKHO-UHFFFAOYSA-N
XLogP-1.21
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.21
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

3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid
CID 43466674
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78911139
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54925252
N-cyclopropyl-3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide
CID 79393868
2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468758
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
CID 43473310
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid
CID 79400880
2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 60686591
(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82962535
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid (CID 43466279) is 3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid is CN(CC(=O)NC1CC1)C(=O)CNCCC(=O)O.
What is the InChIKey of 3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is HAFBMWFAIUIKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-14(7-9(15)13-8-2-3-8)10(16)6-12-5-4-11(17)18/h8,12H,2-7H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid?
3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 257.29 g/mol, XLogP of -1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).