methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate

C11H21N3O4 — CID 60851923

IUPACmethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)CNC(=O)CN)C(=O)OC
InChIInChI=1S/C11H21N3O4/c1-4-7(2)10(11(17)18-3)14-9(16)6-13-8(15)5-12/h7,10H,4-6,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyZCXXMGRFIIKXIQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.23
Rot. Bonds7

About methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate

methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate (PubChem CID 60851923) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
PubChem CID60851923
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Namemethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)CNC(=O)CN)C(=O)OC
InChIInChI=1S/C11H21N3O4/c1-4-7(2)10(11(17)18-3)14-9(16)6-13-8(15)5-12/h7,10H,4-6,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyZCXXMGRFIIKXIQ-UHFFFAOYSA-N
XLogP-1.23
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid
CID 4182583
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoyl]amino]propanoic acid
CID 18487683
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 18487702
[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S,3S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
CID 156701152
6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoic acid
CID 18487694
(3S)-3-[[2-[[(2S,3S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-[[2-(carboxymethylamino)-2-oxoethyl]amino]-4-oxobutanoic acid
CID 10218148
methyl (2S,3S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-methylpentanoate
CID 120590169
methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
methyl (2S,3S)-2-(3-cyanopropanoylamino)-3-methylpentanoate
CID 100927698
2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 18221046
2-amino-N-[2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoethyl]acetamide
CID 65049070
ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate
CID 95782318

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate (CID 60851923) is methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate is CCC(C)C(NC(=O)CNC(=O)CN)C(=O)OC.
What is the InChIKey of methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate?
The InChIKey is ZCXXMGRFIIKXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-4-7(2)10(11(17)18-3)14-9(16)6-13-8(15)5-12/h7,10H,4-6,12H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate?
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate has a molecular weight of 259.31 g/mol, XLogP of -1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate is sourced from PubChem (CID 60851923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).