methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate

C7H14N2O4 — CID 103846044

IUPACmethyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)C(C)N
InChIInChI=1S/C7H14N2O4/c1-4(8)6(11)9-3-5(10)7(12)13-2/h4-5,10H,3,8H2,1-2H3,(H,9,11)
InChIKeyHXLQTPHVNCZAFP-UHFFFAOYSA-N
MW190.20 g/mol
LogP-2.02
Rot. Bonds4

About methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate

methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate (PubChem CID 103846044) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
PubChem CID103846044
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Namemethyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)C(C)N
InChIInChI=1S/C7H14N2O4/c1-4(8)6(11)9-3-5(10)7(12)13-2/h4-5,10H,3,8H2,1-2H3,(H,9,11)
InChIKeyHXLQTPHVNCZAFP-UHFFFAOYSA-N
XLogP-2.02
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
CID 78973572
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-hydroxypropanoate
CID 107222588
(2S)-2-amino-N-(2-hydroxybutyl)propanamide
CID 104866791
methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate
CID 174417154
methyl 2-hydroxy-3-(propan-2-ylamino)propanoate
CID 103491574
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
(2S)-3-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-hydroxypropanoic acid
CID 107835948

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate (CID 103846044) is methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)C(C)N.
What is the InChIKey of methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate?
The InChIKey is HXLQTPHVNCZAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-4(8)6(11)9-3-5(10)7(12)13-2/h4-5,10H,3,8H2,1-2H3,(H,9,11).
What are the key properties of methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate?
methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate has a molecular weight of 190.20 g/mol, XLogP of -2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate is sourced from PubChem (CID 103846044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).