[(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium

C16H28N3O3Y- — CID 59601438

IUPAC[(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium
SMILESC=C(O)C[C@@H](C)NC(=O)C1CCCCN1C(=O)[C@@H]([NH-])C(C)C.[Y]
InChIInChI=1S/C16H28N3O3.Y/c1-10(2)14(17)16(22)19-8-6-5-7-13(19)15(21)18-11(3)9-12(4)20;/h10-11,13-14,17,20H,4-9H2,1-3H3,(H,18,21);/q-1;/t11-,13?,14+;/m1./s1
InChIKeyDUIUOPPWPWYZKJ-WEVUIEQMSA-N
MW399.32 g/mol
LogP2.41
Rot. Bonds6

About [(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium

[(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium (PubChem CID 59601438) has the molecular formula C16H28N3O3Y- and a molecular weight of 399.32 g/mol. Its IUPAC name is [(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium.

Molecular Properties

Compound Name[(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium
PubChem CID59601438
Molecular FormulaC16H28N3O3Y-
Molecular Weight399.32 g/mol
Exact Mass399.12
IUPAC Name[(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium
SMILESC=C(O)C[C@@H](C)NC(=O)C1CCCCN1C(=O)[C@@H]([NH-])C(C)C.[Y]
InChIInChI=1S/C16H28N3O3.Y/c1-10(2)14(17)16(22)19-8-6-5-7-13(19)15(21)18-11(3)9-12(4)20;/h10-11,13-14,17,20H,4-9H2,1-3H3,(H,18,21);/q-1;/t11-,13?,14+;/m1./s1
InChIKeyDUIUOPPWPWYZKJ-WEVUIEQMSA-N
XLogP2.41
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[(1-butanoylpiperidine-2-carbonyl)amino]butanoic acid
CID 119221180
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119349092
(2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 119371105
1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
CID 79013406
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 15515688
1-(cyclopropanecarbonyl)-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 43427876
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid
CID 119350413
2-[[1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 18232493
(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
(2R)-1-[2-(1-carboxypropan-2-ylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034849
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide
CID 142268393

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium?
The IUPAC name of [(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium (CID 59601438) is [(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium.
What is the SMILES notation for [(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium?
The canonical SMILES for [(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium is C=C(O)C[C@@H](C)NC(=O)C1CCCCN1C(=O)[C@@H]([NH-])C(C)C.[Y].
What is the InChIKey of [(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium?
The InChIKey is DUIUOPPWPWYZKJ-WEVUIEQMSA-N. The full InChI is InChI=1S/C16H28N3O3.Y/c1-10(2)14(17)16(22)19-8-6-5-7-13(19)15(21)18-11(3)9-12(4)20;/h10-11,13-14,17,20H,4-9H2,1-3H3,(H,18,21);/q-1;/t11-,13?,14+;/m1./s1.
What are the key properties of [(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium?
[(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium has a molecular weight of 399.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-[[(2R)-4-hydroxypent-4-en-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium is sourced from PubChem (CID 59601438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).