(2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid

C8H14N2O5 — CID 107833506

IUPAC(2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid
SMILESCC(=O)N(C)CC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-5(11)10(2)4-7(13)9-3-6(12)8(14)15/h6,12H,3-4H2,1-2H3,(H,9,13)(H,14,15)/t6-/m0/s1
InChIKeyFFNSSNUJUJWSGG-LURJTMIESA-N
MW218.21 g/mol
LogP-1.97
Rot. Bonds5

About (2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid

(2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid (PubChem CID 107833506) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid
PubChem CID107833506
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid
SMILESCC(=O)N(C)CC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-5(11)10(2)4-7(13)9-3-6(12)8(14)15/h6,12H,3-4H2,1-2H3,(H,9,13)(H,14,15)/t6-/m0/s1
InChIKeyFFNSSNUJUJWSGG-LURJTMIESA-N
XLogP-1.97
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(methyl)amino]-N-(2-hydroxypentyl)acetamide
CID 115700908
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
(2S,3R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3-hydroxybutanoic acid
CID 104964394
5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid
CID 104681859
2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde
CID 91310133
4-[[2-[acetyl(methyl)amino]acetyl]amino]butanoic acid
CID 43355054
2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66167993
(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61152892
3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid
CID 66166212
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167159
(2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid
CID 107835951
2-[[2-[acetyl(methyl)amino]acetyl]amino]-N-ethylacetamide
CID 143168643

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid (CID 107833506) is (2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid is CC(=O)N(C)CC(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid?
The InChIKey is FFNSSNUJUJWSGG-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O5/c1-5(11)10(2)4-7(13)9-3-6(12)8(14)15/h6,12H,3-4H2,1-2H3,(H,9,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid?
(2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid has a molecular weight of 218.21 g/mol, XLogP of -1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107833506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).