methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate

C9H18N2O3 — CID 81489476

IUPACmethyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)C(C)(C)CN
InChIInChI=1S/C9H18N2O3/c1-9(2,6-10)8(13)11-5-4-7(12)14-3/h4-6,10H2,1-3H3,(H,11,13)
InChIKeyYKQGQMUMWWPQQD-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.35
Rot. Bonds5

About methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate

methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate (PubChem CID 81489476) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate
PubChem CID81489476
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)C(C)(C)CN
InChIInChI=1S/C9H18N2O3/c1-9(2,6-10)8(13)11-5-4-7(12)14-3/h4-6,10H2,1-3H3,(H,11,13)
InChIKeyYKQGQMUMWWPQQD-UHFFFAOYSA-N
XLogP-0.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-aminoacetyl)amino]propanoate
CID 60672581
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid
CID 115426845
methyl 3-[(2-ethyl-2-methyloctanoyl)amino]propanoate
CID 135208354
6-[(3-amino-2,2-dimethylpropanoyl)amino]-4-ethylhexanoic acid
CID 113307665
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate
CID 107222678
3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride
CID 119901189
methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate
CID 79815089
methyl 3-(carboniodidoylamino)propanoate
CID 129042204
3-amino-N-[2-(cyclopropylmethoxy)ethyl]-2,2-dimethylpropanamide
CID 103809924
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethylpropanamide
CID 103809518

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate (CID 81489476) is methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate is COC(=O)CCNC(=O)C(C)(C)CN.
What is the InChIKey of methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate?
The InChIKey is YKQGQMUMWWPQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,6-10)8(13)11-5-4-7(12)14-3/h4-6,10H2,1-3H3,(H,11,13).
What are the key properties of methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate?
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate has a molecular weight of 202.25 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate is sourced from PubChem (CID 81489476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).