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

C7H14N2O4 — CID 107835951

IUPAC(2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid
SMILESCCNCC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-8-4-6(11)9-3-5(10)7(12)13/h5,8,10H,2-4H2,1H3,(H,9,11)(H,12,13)/t5-/m0/s1
InChIKeyJMUNHGAFGAUHKU-YFKPBYRVSA-N
MW190.20 g/mol
LogP-1.84
Rot. Bonds6

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

(2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid (PubChem CID 107835951) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid
PubChem CID107835951
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name(2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid
SMILESCCNCC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-8-4-6(11)9-3-5(10)7(12)13/h5,8,10H,2-4H2,1H3,(H,9,11)(H,12,13)/t5-/m0/s1
InChIKeyJMUNHGAFGAUHKU-YFKPBYRVSA-N
XLogP-1.84
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[3-(ethylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107835994
(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836525
2-(ethylamino)-N-(2-ethylbutyl)acetamide
CID 115738196
N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylamino)acetamide
CID 103810605
(2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid
CID 107833755
2-hydroxy-3-(2-methylbutanoylamino)propanoic acid
CID 66167020
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
(2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid
CID 107833506
3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
CID 81080321
2-hydroxy-3-(3,4,4-trimethylpentanoylamino)propanoic acid
CID 66166062
(2S)-3-[(3-amino-4-methylpentanoyl)amino]-2-hydroxypropanoic acid
CID 107835936
2-(ethylamino)-N-(2-ethylsulfonylethyl)acetamide
CID 103810362

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid (CID 107835951) is (2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid is CCNCC(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid?
The InChIKey is JMUNHGAFGAUHKU-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-2-8-4-6(11)9-3-5(10)7(12)13/h5,8,10H,2-4H2,1H3,(H,9,11)(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid?
(2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid has a molecular weight of 190.20 g/mol, XLogP of -1.84, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107835951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).