4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid

C10H20N2O4 — CID 131955130

IUPAC4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid
SMILESN[C@H](CO)CCCCNC(=O)CCC(=O)O
InChIInChI=1S/C10H20N2O4/c11-8(7-13)3-1-2-6-12-9(14)4-5-10(15)16/h8,13H,1-7,11H2,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyLDKVBDKWMAMWKU-QMMMGPOBSA-N
MW232.28 g/mol
LogP-0.54
Rot. Bonds9

About 4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid

4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid (PubChem CID 131955130) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid
PubChem CID131955130
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid
SMILESN[C@H](CO)CCCCNC(=O)CCC(=O)O
InChIInChI=1S/C10H20N2O4/c11-8(7-13)3-1-2-6-12-9(14)4-5-10(15)16/h8,13H,1-7,11H2,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyLDKVBDKWMAMWKU-QMMMGPOBSA-N
XLogP-0.54
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
4-(6-hydroxyhexylamino)-4-oxobutanoic acid
CID 82675255
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid
CID 102018934
20-[[(5S)-5-amino-5-carboxypentyl]amino]-20-oxoicosanoic acid
CID 123299935
[(4S)-4-amino-5-hydroxypentyl]carbamic acid
CID 87488946
4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium
CID 59926153
4-amino-5-hydroxypentanoic acid
CID 162240530
[(4S)-4-amino-5-hydroxypentyl]urea
CID 122174122

Frequently Asked Questions

What is the IUPAC name of 4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid (CID 131955130) is 4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid is N[C@H](CO)CCCCNC(=O)CCC(=O)O.
What is the InChIKey of 4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid?
The InChIKey is LDKVBDKWMAMWKU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O4/c11-8(7-13)3-1-2-6-12-9(14)4-5-10(15)16/h8,13H,1-7,11H2,(H,12,14)(H,15,16)/t8-/m0/s1.
What are the key properties of 4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid?
4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.54, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 131955130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).