methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate

C9H15N3O5 — CID 177316004

IUPACmethyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate
SMILESCOC(=O)C(CCC(N)=O)NC(=O)CNC=O
InChIInChI=1S/C9H15N3O5/c1-17-9(16)6(2-3-7(10)14)12-8(15)4-11-5-13/h5-6H,2-4H2,1H3,(H2,10,14)(H,11,13)(H,12,15)
InChIKeyGATPYXQWZKEDPB-UHFFFAOYSA-N
MW245.23 g/mol
LogP-2.34
Rot. Bonds8

About methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate

methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate (PubChem CID 177316004) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate
PubChem CID177316004
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Namemethyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate
SMILESCOC(=O)C(CCC(N)=O)NC(=O)CNC=O
InChIInChI=1S/C9H15N3O5/c1-17-9(16)6(2-3-7(10)14)12-8(15)4-11-5-13/h5-6H,2-4H2,1H3,(H2,10,14)(H,11,13)(H,12,15)
InChIKeyGATPYXQWZKEDPB-UHFFFAOYSA-N
XLogP-2.34
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-2.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[[5-[[5-[[4-[[5-[(5-amino-1-methoxy-1,5-dioxopentan-2-yl)amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-2-[[4-[[4-(butanoylamino)-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 177284901
methyl (2S)-5-amino-2-[[(9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoyl]amino]-5-oxopentanoate
CID 102572020
5-[[4-[[5-[[4-[[4-[[5-[[4-[[4-[[5-[[4-[[4-[[5-[[4-[[4-[(5-amino-1-methoxy-1,5-dioxopentan-2-yl)amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 177284939
5-[[5-[[5-[[4-[[5-[[5-[[4-[[5-[[5-[[4-[[5-[[5-[[4-[[5-[(5-amino-1-methoxy-1,5-dioxopentan-2-yl)amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 177284964
tert-butyl 2-[(2-formamidoacetyl)amino]-6-imino-5-oxohexanoate
CID 166105899
methyl (2R)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 15719230
ethyl 5-amino-2-(hexanoylamino)-5-oxopentanoate
CID 145415933
butyl (2S)-5-amino-2-(dodecanoylamino)-5-oxopentanoate
CID 174830335
methyl 4-[4-(aminomethyl)phenyl]-2-[[2-[3-[(2-formamidoacetyl)amino]butanoylamino]acetyl]amino]butanoate
CID 142043058
2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide
CID 178034065
methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate
CID 119709040
2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid
CID 144619176

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate?
The IUPAC name of methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate (CID 177316004) is methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate is COC(=O)C(CCC(N)=O)NC(=O)CNC=O.
What is the InChIKey of methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate?
The InChIKey is GATPYXQWZKEDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5/c1-17-9(16)6(2-3-7(10)14)12-8(15)4-11-5-13/h5-6H,2-4H2,1H3,(H2,10,14)(H,11,13)(H,12,15).
What are the key properties of methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate?
methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate has a molecular weight of 245.23 g/mol, XLogP of -2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate is sourced from PubChem (CID 177316004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).