carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium

C9H18N2O3Y-2 — CID 59971091

IUPACcarbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium
SMILESC[N-]C(C)C(=O)NC(C)CC(=O)O.[CH3-].[Y]
InChIInChI=1S/C8H15N2O3.CH3.Y/c1-5(4-7(11)12)10-8(13)6(2)9-3;;/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12);1H3;/q2*-1;
InChIKeyGJMIBBNXVXWVKR-UHFFFAOYSA-N
MW291.16 g/mol
LogP0.81
Rot. Bonds5

About carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium

carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium (PubChem CID 59971091) has the molecular formula C9H18N2O3Y-2 and a molecular weight of 291.16 g/mol. Its IUPAC name is carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium.

Molecular Properties

Compound Namecarbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium
PubChem CID59971091
Molecular FormulaC9H18N2O3Y-2
Molecular Weight291.16 g/mol
Exact Mass291.04
IUPAC Namecarbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium
SMILESC[N-]C(C)C(=O)NC(C)CC(=O)O.[CH3-].[Y]
InChIInChI=1S/C8H15N2O3.CH3.Y/c1-5(4-7(11)12)10-8(13)6(2)9-3;;/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12);1H3;/q2*-1;
InChIKeyGJMIBBNXVXWVKR-UHFFFAOYSA-N
XLogP0.81
TPSA80.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
CID 78973363
3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
3-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 119347954
3-[(3-amino-2-methylpropanoyl)amino]butanoic acid
CID 62670881
4-[[3-carboxy-1-[[3-carboxy-1-[[3-carboxy-1-[[3-carboxy-1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxo-3-(propanoylamino)butanoic acid
CID 177200663
3-(2-aminobutanoylamino)butanoic acid
CID 61159852
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
CID 61161973
3-(2-prop-2-enylpent-4-enoylamino)butanoic acid
CID 119347682
(3R)-3-(methylamino)butanoic acid;hydrochloride
CID 146082386
3-[2-(azetidin-3-yl)propanoylamino]butanoic acid
CID 116676971
3-(3-aminobutanoylamino)butanoic acid
CID 61160048

Frequently Asked Questions

What is the IUPAC name of carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium?
The IUPAC name of carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium (CID 59971091) is carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium.
What is the SMILES notation for carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium?
The canonical SMILES for carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium is C[N-]C(C)C(=O)NC(C)CC(=O)O.[CH3-].[Y].
What is the InChIKey of carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium?
The InChIKey is GJMIBBNXVXWVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2O3.CH3.Y/c1-5(4-7(11)12)10-8(13)6(2)9-3;;/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12);1H3;/q2*-1;.
What are the key properties of carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium?
carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium has a molecular weight of 291.16 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium is sourced from PubChem (CID 59971091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).