ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate

C11H22N2O3 — CID 82011532

IUPACethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)CCC(C)CN
InChIInChI=1S/C11H22N2O3/c1-3-16-11(15)6-7-13-10(14)5-4-9(2)8-12/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyVPLXCCKSNSMXJN-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.43
Rot. Bonds8

About ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate

ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate (PubChem CID 82011532) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate
PubChem CID82011532
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)CCC(C)CN
InChIInChI=1S/C11H22N2O3/c1-3-16-11(15)6-7-13-10(14)5-4-9(2)8-12/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyVPLXCCKSNSMXJN-UHFFFAOYSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate
CID 62668583
5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide
CID 82012399
2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
CID 83210908
methyl 3-[(4-amino-3-methylbutanoyl)amino]propanoate
CID 81087612
5-amino-N-(4-hydroxybutyl)-4-methylpentanamide
CID 106842029
ethyl 4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butanoate
CID 61149555
5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid
CID 82689538
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide
CID 82683387
ethyl 3-(2-propylpentanoylamino)propanoate
CID 23363631
N-(5-amino-4-methylpentyl)hexanamide
CID 57163193
5-amino-N-(3-cyanopropyl)-4-methylpentanamide
CID 82010988
ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate
CID 79478891

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate?
The IUPAC name of ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate (CID 82011532) is ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate is CCOC(=O)CCNC(=O)CCC(C)CN.
What is the InChIKey of ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate?
The InChIKey is VPLXCCKSNSMXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-16-11(15)6-7-13-10(14)5-4-9(2)8-12/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate?
ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate has a molecular weight of 230.31 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate is sourced from PubChem (CID 82011532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).