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

C10H20N2O4 — CID 107825058

IUPAC(2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid
SMILESCCC(C)NCC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-7(2)11-6-9(14)12-8(4-5-13)10(15)16/h7-8,11,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)/t7?,8-/m1/s1
InChIKeyOYAWKRGMQPNWOS-BRFYHDHCSA-N
MW232.28 g/mol
LogP-0.67
Rot. Bonds8

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

(2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid (PubChem CID 107825058) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid
PubChem CID107825058
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid
SMILESCCC(C)NCC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-7(2)11-6-9(14)12-8(4-5-13)10(15)16/h7-8,11,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)/t7?,8-/m1/s1
InChIKeyOYAWKRGMQPNWOS-BRFYHDHCSA-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

(2S)-5-amino-2-[[2-(butan-2-ylamino)acetyl]amino]-5-oxopentanoic acid
CID 61162097
2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349913
(2S)-4-hydroxy-2-(3-oxobutanoylamino)butanoic acid
CID 54118201
(2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid
CID 107825179
3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675191
(2S)-4-hydroxy-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
CID 107821912
2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid
CID 62696023
(2S)-4-hydroxy-2-[(2-sulfanylacetyl)amino]butanoic acid
CID 91260947
2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid
CID 61244410
N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 83176839
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
(2R)-4-hydroxy-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107823395

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid (CID 107825058) is (2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid is CCC(C)NCC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid?
The InChIKey is OYAWKRGMQPNWOS-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-7(2)11-6-9(14)12-8(4-5-13)10(15)16/h7-8,11,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-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 (2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107825058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).