CID 23586016

C15H31AlN4O5 — CID 23586016

IUPAC—
SMILESCC(C)[C@@H]([Al])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N.O.O
InChIInChI=1S/C15H27N4O3.Al.2H2O/c1-9(2)8-17-14(21)12-6-5-7-19(12)15(22)11(4)18-13(20)10(3)16;;;/h8-12H,5-7,16H2,1-4H3,(H,17,21)(H,18,20);;2*1H2/t10-,11-,12-;;;/m0.../s1
InChIKeyBEKZSYAIAUKWLT-YSZXOBSOSA-N
MW374.42 g/mol
LogP-2.55
Rot. Bonds6

About CID 23586016

CID 23586016 (PubChem CID 23586016) has the molecular formula C15H31AlN4O5 and a molecular weight of 374.42 g/mol.

Molecular Properties

Compound NameCID 23586016
PubChem CID23586016
Molecular FormulaC15H31AlN4O5
Molecular Weight374.42 g/mol
Exact Mass374.21
IUPAC Name—
SMILESCC(C)[C@@H]([Al])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N.O.O
InChIInChI=1S/C15H27N4O3.Al.2H2O/c1-9(2)8-17-14(21)12-6-5-7-19(12)15(22)11(4)18-13(20)10(3)16;;;/h8-12H,5-7,16H2,1-4H3,(H,17,21)(H,18,20);;2*1H2/t10-,11-,12-;;;/m0.../s1
InChIKeyBEKZSYAIAUKWLT-YSZXOBSOSA-N
XLogP-2.55
TPSA167.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 5-2.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 175941092
2-[[1-[2-(2-aminopropanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 18232874
(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 14503296
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 134827423
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442
(2S)-2-[[(2S)-2-[[(3S)-3-[[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-2-oxopentyl]amino]propanoyl]amino]propanoic acid
CID 101353967
(2S)-N-(2-amino-2-oxoethyl)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 25148944
2-[[1-[2-(2-aminopropanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 21480374
3-amino-4-[[1-[2-(1-carboxyethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246786
2-[[1-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 18254784
2-[[1-[2-[(2-amino-3-methylpentanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 18500901
2-[[1-[2-[2-[[2-(2-aminopropanoylamino)acetyl]amino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 18759408

Frequently Asked Questions

What is the IUPAC name of CID 23586016?
The IUPAC name of CID 23586016 (CID 23586016) is not available.
What is the SMILES notation for CID 23586016?
The canonical SMILES for CID 23586016 is CC(C)[C@@H]([Al])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N.O.O.
What is the InChIKey of CID 23586016?
The InChIKey is BEKZSYAIAUKWLT-YSZXOBSOSA-N. The full InChI is InChI=1S/C15H27N4O3.Al.2H2O/c1-9(2)8-17-14(21)12-6-5-7-19(12)15(22)11(4)18-13(20)10(3)16;;;/h8-12H,5-7,16H2,1-4H3,(H,17,21)(H,18,20);;2*1H2/t10-,11-,12-;;;/m0.../s1.
What are the key properties of CID 23586016?
CID 23586016 has a molecular weight of 374.42 g/mol, XLogP of -2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23586016 is sourced from PubChem (CID 23586016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).