3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid

C7H14N2O4 — CID 106109032

IUPAC3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)[C@@H](C)N)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-4(8)6(10)9-3-5(13-2)7(11)12/h4-5H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t4-,5?/m1/s1
InChIKeyDVJYXJPSOYQLPR-CNZKWPKMSA-N
MW190.20 g/mol
LogP-1.45
Rot. Bonds5

About 3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid

3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid (PubChem CID 106109032) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
PubChem CID106109032
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)[C@@H](C)N)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-4(8)6(10)9-3-5(13-2)7(11)12/h4-5H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t4-,5?/m1/s1
InChIKeyDVJYXJPSOYQLPR-CNZKWPKMSA-N
XLogP-1.45
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid
CID 106108985
3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
CID 106107877
(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
CID 78973572
3-(2-ethylbutanoylamino)-2-methoxypropanoic acid
CID 106107186
3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
CID 106107430
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 106108243
methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
CID 103846044
2-methoxy-3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 106109760
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-methoxypropanoic acid
CID 106108909
3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid
CID 106109020

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid (CID 106109032) is 3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)[C@@H](C)N)C(=O)O.
What is the InChIKey of 3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid?
The InChIKey is DVJYXJPSOYQLPR-CNZKWPKMSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-4(8)6(10)9-3-5(13-2)7(11)12/h4-5H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t4-,5?/m1/s1.
What are the key properties of 3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid?
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid has a molecular weight of 190.20 g/mol, XLogP of -1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).