(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid

C8H16N2O4 — CID 107836525

IUPAC(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid
SMILESCCNCC(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-9-5-7(12)10-4-3-6(11)8(13)14/h6,9,11H,2-5H2,1H3,(H,10,12)(H,13,14)/t6-/m0/s1
InChIKeyNQMOWNXFSIBJCL-LURJTMIESA-N
MW204.23 g/mol
LogP-1.45
Rot. Bonds7

About (2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid

(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid (PubChem CID 107836525) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid
PubChem CID107836525
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid
SMILESCCNCC(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-9-5-7(12)10-4-3-6(11)8(13)14/h6,9,11H,2-5H2,1H3,(H,10,12)(H,13,14)/t6-/m0/s1
InChIKeyNQMOWNXFSIBJCL-LURJTMIESA-N
XLogP-1.45
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid
CID 107835951
(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836312
4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid
CID 107836168
2-hydroxy-4-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107831703
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068
4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid
CID 107832641
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
4-(4-aminopentanoylamino)-2-hydroxybutanoic acid
CID 107836031
(2S)-2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 107836313
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid (CID 107836525) is (2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid is CCNCC(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid?
The InChIKey is NQMOWNXFSIBJCL-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O4/c1-2-9-5-7(12)10-4-3-6(11)8(13)14/h6,9,11H,2-5H2,1H3,(H,10,12)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid?
(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid has a molecular weight of 204.23 g/mol, XLogP of -1.45, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).