methyl 2-(3-aminobutanoylamino)acetate

C7H14N2O3 — CID 60914832

IUPACmethyl 2-(3-aminobutanoylamino)acetate
SMILESCOC(=O)CNC(=O)CC(C)N
InChIInChI=1S/C7H14N2O3/c1-5(8)3-6(10)9-4-7(11)12-2/h5H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyAWESVZOCRLFSRH-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.99
Rot. Bonds4

About methyl 2-(3-aminobutanoylamino)acetate

methyl 2-(3-aminobutanoylamino)acetate (PubChem CID 60914832) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 2-(3-aminobutanoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-aminobutanoylamino)acetate
PubChem CID60914832
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namemethyl 2-(3-aminobutanoylamino)acetate
SMILESCOC(=O)CNC(=O)CC(C)N
InChIInChI=1S/C7H14N2O3/c1-5(8)3-6(10)9-4-7(11)12-2/h5H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyAWESVZOCRLFSRH-UHFFFAOYSA-N
XLogP-0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 115738068
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
3-amino-N-(2-methoxypropyl)butanamide
CID 102695030
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724
methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate
CID 112686620
methyl 2-(2-aminopropylamino)acetate
CID 54010376
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905862
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358
4-(3-aminobutanoylamino)-3-methoxybutanoic acid
CID 103156918
methyl 2-[[(2S)-2-hydroxypropanoyl]amino]acetate
CID 11041006
methyl 2-[(2-isocyanatoacetyl)amino]acetate
CID 139461110

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminobutanoylamino)acetate?
The IUPAC name of methyl 2-(3-aminobutanoylamino)acetate (CID 60914832) is methyl 2-(3-aminobutanoylamino)acetate.
What is the SMILES notation for methyl 2-(3-aminobutanoylamino)acetate?
The canonical SMILES for methyl 2-(3-aminobutanoylamino)acetate is COC(=O)CNC(=O)CC(C)N.
What is the InChIKey of methyl 2-(3-aminobutanoylamino)acetate?
The InChIKey is AWESVZOCRLFSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(8)3-6(10)9-4-7(11)12-2/h5H,3-4,8H2,1-2H3,(H,9,10).
What are the key properties of methyl 2-(3-aminobutanoylamino)acetate?
methyl 2-(3-aminobutanoylamino)acetate has a molecular weight of 174.20 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminobutanoylamino)acetate is sourced from PubChem (CID 60914832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).