2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium

C11H20N2O4Y-2 — CID 167623600

IUPAC2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium
SMILES[CH2-]C(=O)NC(CCC(=O)NC(C)C)C(=O)O.[CH3-].[Y]
InChIInChI=1S/C10H17N2O4.CH3.Y/c1-6(2)11-9(14)5-4-8(10(15)16)12-7(3)13;;/h6,8H,3-5H2,1-2H3,(H,11,14)(H,12,13)(H,15,16);1H3;/q2*-1;
InChIKeyIVGBWIASZDYJDP-UHFFFAOYSA-N
MW333.20 g/mol
LogP0.14
Rot. Bonds6

About 2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium

2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium (PubChem CID 167623600) has the molecular formula C11H20N2O4Y-2 and a molecular weight of 333.20 g/mol. Its IUPAC name is 2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium.

Molecular Properties

Compound Name2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium
PubChem CID167623600
Molecular FormulaC11H20N2O4Y-2
Molecular Weight333.20 g/mol
Exact Mass333.05
IUPAC Name2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium
SMILES[CH2-]C(=O)NC(CCC(=O)NC(C)C)C(=O)O.[CH3-].[Y]
InChIInChI=1S/C10H17N2O4.CH3.Y/c1-6(2)11-9(14)5-4-8(10(15)16)12-7(3)13;;/h6,8H,3-5H2,1-2H3,(H,11,14)(H,12,13)(H,15,16);1H3;/q2*-1;
InChIKeyIVGBWIASZDYJDP-UHFFFAOYSA-N
XLogP0.14
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid
CID 103995632
18-[[(1S)-1-carboxy-4-oxo-4-(propan-2-ylamino)butyl]amino]-18-oxooctadecanoic acid;methanethioic S-acid
CID 171814319
(2S)-2-(propan-2-ylcarbamoylamino)pentanedioic acid
CID 61143700
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid
CID 112515283
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
(2S)-5-[[1-carboxy-4-(methylamino)-4-oxobutyl]amino]-5-oxo-2-(propanoylamino)pentanoic acid
CID 90455527
2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid
CID 119223676
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-(propan-2-ylamino)butanoyl]amino]butanoyl]amino]-6-methyl-5-oxoheptanoic acid
CID 176591283
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-(propanoylamino)butanoyl]amino]butanoyl]amino]-6-methyl-5-oxoheptanoic acid
CID 146551121
2-[[4-carboxy-4-[[4-carboxy-4-(propan-2-ylamino)butanoyl]amino]butanoyl]amino]-6-fluoro-5-oxohexanoic acid
CID 176567651
(2S)-2-[4-(propan-2-ylamino)butanoylamino]pentanedioic acid
CID 61160968

Frequently Asked Questions

What is the IUPAC name of 2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium?
The IUPAC name of 2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium (CID 167623600) is 2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium.
What is the SMILES notation for 2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium?
The canonical SMILES for 2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium is [CH2-]C(=O)NC(CCC(=O)NC(C)C)C(=O)O.[CH3-].[Y].
What is the InChIKey of 2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium?
The InChIKey is IVGBWIASZDYJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O4.CH3.Y/c1-6(2)11-9(14)5-4-8(10(15)16)12-7(3)13;;/h6,8H,3-5H2,1-2H3,(H,11,14)(H,12,13)(H,15,16);1H3;/q2*-1;.
What are the key properties of 2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium?
2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium has a molecular weight of 333.20 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid;carbanide;yttrium is sourced from PubChem (CID 167623600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).