butane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate

C12H25N3O4 — CID 145317303

IUPACbutane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate
SMILESCCCC.COC(=O)CCNC(=O)CNC(=O)CN
InChIInChI=1S/C8H15N3O4.C4H10/c1-15-8(14)2-3-10-7(13)5-11-6(12)4-9;1-3-4-2/h2-5,9H2,1H3,(H,10,13)(H,11,12);3-4H2,1-2H3
InChIKeyMBNZRQWSISBZQV-UHFFFAOYSA-N
MW275.35 g/mol
LogP-0.45
Rot. Bonds7

About butane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate

butane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate (PubChem CID 145317303) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is butane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namebutane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate
PubChem CID145317303
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC Namebutane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate
SMILESCCCC.COC(=O)CCNC(=O)CNC(=O)CN
InChIInChI=1S/C8H15N3O4.C4H10/c1-15-8(14)2-3-10-7(13)5-11-6(12)4-9;1-3-4-2/h2-5,9H2,1H3,(H,10,13)(H,11,12);3-4H2,1-2H3
InChIKeyMBNZRQWSISBZQV-UHFFFAOYSA-N
XLogP-0.45
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of butane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate?
The IUPAC name of butane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate (CID 145317303) is butane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate.
What is the SMILES notation for butane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate?
The canonical SMILES for butane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate is CCCC.COC(=O)CCNC(=O)CNC(=O)CN.
What is the InChIKey of butane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate?
The InChIKey is MBNZRQWSISBZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4.C4H10/c1-15-8(14)2-3-10-7(13)5-11-6(12)4-9;1-3-4-2/h2-5,9H2,1H3,(H,10,13)(H,11,12);3-4H2,1-2H3.
What are the key properties of butane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate?
butane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate has a molecular weight of 275.35 g/mol, XLogP of -0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate is sourced from PubChem (CID 145317303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).