methyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate

C10H17N3O5 — CID 59082682

IUPACmethyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate
SMILESCOC(=O)CC(NC(=O)CN)C(=O)NCC(C)=O
InChIInChI=1S/C10H17N3O5/c1-6(14)5-12-10(17)7(3-9(16)18-2)13-8(15)4-11/h7H,3-5,11H2,1-2H3,(H,12,17)(H,13,15)
InChIKeyRCRUWDOUTRHULU-UHFFFAOYSA-N
MW259.26 g/mol
LogP-2.30
Rot. Bonds7

About methyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate

methyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate (PubChem CID 59082682) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate
PubChem CID59082682
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Namemethyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate
SMILESCOC(=O)CC(NC(=O)CN)C(=O)NCC(C)=O
InChIInChI=1S/C10H17N3O5/c1-6(14)5-12-10(17)7(3-9(16)18-2)13-8(15)4-11/h7H,3-5,11H2,1-2H3,(H,12,17)(H,13,15)
InChIKeyRCRUWDOUTRHULU-UHFFFAOYSA-N
XLogP-2.30
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-2.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate?
The IUPAC name of methyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate (CID 59082682) is methyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate.
What is the SMILES notation for methyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate?
The canonical SMILES for methyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate is COC(=O)CC(NC(=O)CN)C(=O)NCC(C)=O.
What is the InChIKey of methyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate?
The InChIKey is RCRUWDOUTRHULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-6(14)5-12-10(17)7(3-9(16)18-2)13-8(15)4-11/h7H,3-5,11H2,1-2H3,(H,12,17)(H,13,15).
What are the key properties of methyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate?
methyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate has a molecular weight of 259.26 g/mol, XLogP of -2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-aminoacetyl)amino]-4-oxo-4-(2-oxopropylamino)butanoate is sourced from PubChem (CID 59082682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).