butyl (2S)-2-acetamido-5-amino-5-oxopentanoate

C11H20N2O4 — CID 87112698

IUPACbutyl (2S)-2-acetamido-5-amino-5-oxopentanoate
SMILESCCCCOC(=O)[C@H](CCC(N)=O)NC(C)=O
InChIInChI=1S/C11H20N2O4/c1-3-4-7-17-11(16)9(13-8(2)14)5-6-10(12)15/h9H,3-7H2,1-2H3,(H2,12,15)(H,13,14)/t9-/m0/s1
InChIKeyFKTAIWZNSXZRIS-VIFPVBQESA-N
MW244.29 g/mol
LogP0.10
Rot. Bonds8

About butyl (2S)-2-acetamido-5-amino-5-oxopentanoate

butyl (2S)-2-acetamido-5-amino-5-oxopentanoate (PubChem CID 87112698) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is butyl (2S)-2-acetamido-5-amino-5-oxopentanoate.

Molecular Properties

Compound Namebutyl (2S)-2-acetamido-5-amino-5-oxopentanoate
PubChem CID87112698
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namebutyl (2S)-2-acetamido-5-amino-5-oxopentanoate
SMILESCCCCOC(=O)[C@H](CCC(N)=O)NC(C)=O
InChIInChI=1S/C11H20N2O4/c1-3-4-7-17-11(16)9(13-8(2)14)5-6-10(12)15/h9H,3-7H2,1-2H3,(H2,12,15)(H,13,14)/t9-/m0/s1
InChIKeyFKTAIWZNSXZRIS-VIFPVBQESA-N
XLogP0.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl (2S)-5-amino-2-(dodecanoylamino)-5-oxopentanoate
CID 174830335
butyl 2-acetamido-6-aminohexanoate
CID 527831
heptadecyl (2S)-5-amino-2-[[(2R)-2-aminopropanoyl]amino]-5-oxopentanoate
CID 25264840
octadecyl (2S)-5-amino-2-[[(2R)-2-aminopropanoyl]amino]-5-oxopentanoate;hydrochloride
CID 10413852
CID 102601830
CID 102601830
propan-2-yl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 87112681
dibutyl (2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]pentanedioate
CID 22215985
ethyl 5-amino-2-(hexanoylamino)-5-oxopentanoate
CID 145415933
(4S)-5-butoxy-4-[[(2S)-1-butoxy-1-oxopentan-2-yl]carbamoylamino]-5-oxopentanoic acid
CID 118070435
3,7-dimethyloct-6-enyl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 21310250
octyl 2-acetamido-3-sulfanylpropanoate
CID 75292998
dodecyl (2R)-2-acetamido-3-selanylpropanoate
CID 154057509

Frequently Asked Questions

What is the IUPAC name of butyl (2S)-2-acetamido-5-amino-5-oxopentanoate?
The IUPAC name of butyl (2S)-2-acetamido-5-amino-5-oxopentanoate (CID 87112698) is butyl (2S)-2-acetamido-5-amino-5-oxopentanoate.
What is the SMILES notation for butyl (2S)-2-acetamido-5-amino-5-oxopentanoate?
The canonical SMILES for butyl (2S)-2-acetamido-5-amino-5-oxopentanoate is CCCCOC(=O)[C@H](CCC(N)=O)NC(C)=O.
What is the InChIKey of butyl (2S)-2-acetamido-5-amino-5-oxopentanoate?
The InChIKey is FKTAIWZNSXZRIS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-4-7-17-11(16)9(13-8(2)14)5-6-10(12)15/h9H,3-7H2,1-2H3,(H2,12,15)(H,13,14)/t9-/m0/s1.
What are the key properties of butyl (2S)-2-acetamido-5-amino-5-oxopentanoate?
butyl (2S)-2-acetamido-5-amino-5-oxopentanoate has a molecular weight of 244.29 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2S)-2-acetamido-5-amino-5-oxopentanoate is sourced from PubChem (CID 87112698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).