5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid

C8H14N2O3 — CID 142578734

IUPAC5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid
SMILESC=C(C)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-5(2)10-6(8(12)13)3-4-7(9)11/h6,10H,1,3-4H2,2H3,(H2,9,11)(H,12,13)
InChIKeyNQIYBGIGRZLIJL-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.17
Rot. Bonds6

About 5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid

5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid (PubChem CID 142578734) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid
PubChem CID142578734
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid
SMILESC=C(C)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-5(2)10-6(8(12)13)3-4-7(9)11/h6,10H,1,3-4H2,2H3,(H2,9,11)(H,12,13)
InChIKeyNQIYBGIGRZLIJL-UHFFFAOYSA-N
XLogP-0.17
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(prop-1-en-2-ylamino)pentanedioic acid
CID 89274220
5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 114618020
(2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 104940138
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2R)-5-amino-2-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107831129
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276
2-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123280236
2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid
CID 23191188
(2S)-2-acetamido-5-amino-5-oxopentanoic acid;(2R)-2-acetamido-3-sulfanylpropanoic acid
CID 87864683
(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 114006033
(2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 107831097
3-amino-2-(prop-1-en-2-ylamino)propanoic acid
CID 135150363

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid (CID 142578734) is 5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid is C=C(C)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid?
The InChIKey is NQIYBGIGRZLIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(2)10-6(8(12)13)3-4-7(9)11/h6,10H,1,3-4H2,2H3,(H2,9,11)(H,12,13).
What are the key properties of 5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid?
5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid is sourced from PubChem (CID 142578734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).