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

C10H20N2O4 — CID 107836312

IUPAC(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid
SMILESCCC(C)NCC(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-7(2)12-6-9(14)11-5-4-8(13)10(15)16/h7-8,12-13H,3-6H2,1-2H3,(H,11,14)(H,15,16)/t7?,8-/m0/s1
InChIKeyOEZSTMMQNGQQOW-MQWKRIRWSA-N
MW232.28 g/mol
LogP-0.67
Rot. Bonds8

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

(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid (PubChem CID 107836312) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid
PubChem CID107836312
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid
SMILESCCC(C)NCC(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-7(2)12-6-9(14)11-5-4-8(13)10(15)16/h7-8,12-13H,3-6H2,1-2H3,(H,11,14)(H,15,16)/t7?,8-/m0/s1
InChIKeyOEZSTMMQNGQQOW-MQWKRIRWSA-N
XLogP-0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836525
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675191
(2S)-2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 107836313
(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid
CID 83194407
4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid
CID 107832641
N-(3-methylbutyl)-2-(pentan-2-ylamino)acetamide
CID 60672196
4-(4-aminopentanoylamino)-2-hydroxybutanoic acid
CID 107836031
2-(butan-2-ylamino)-N-(2-methylbutyl)acetamide
CID 62691817
N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide
CID 60672212

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid (CID 107836312) is (2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid is CCC(C)NCC(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid?
The InChIKey is OEZSTMMQNGQQOW-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-7(2)12-6-9(14)11-5-4-8(13)10(15)16/h7-8,12-13H,3-6H2,1-2H3,(H,11,14)(H,15,16)/t7?,8-/m0/s1.
What are the key properties of (2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid?
(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.67, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).