CID 164549432

C15H29BN2O3 — CID 164549432

IUPAC—
SMILESCC(C)C(N)C(=O)NCC1CCCCC1C(=O)O.[B]CC
InChIInChI=1S/C13H24N2O3.C2H5B/c1-8(2)11(14)12(16)15-7-9-5-3-4-6-10(9)13(17)18;1-2-3/h8-11H,3-7,14H2,1-2H3,(H,15,16)(H,17,18);2H2,1H3
InChIKeyUMQFHLVGOWRQEV-UHFFFAOYSA-N
MW296.22 g/mol
LogP1.57
Rot. Bonds5

About CID 164549432

CID 164549432 (PubChem CID 164549432) has the molecular formula C15H29BN2O3 and a molecular weight of 296.22 g/mol.

Molecular Properties

Compound NameCID 164549432
PubChem CID164549432
Molecular FormulaC15H29BN2O3
Molecular Weight296.22 g/mol
Exact Mass296.23
IUPAC Name—
SMILESCC(C)C(N)C(=O)NCC1CCCCC1C(=O)O.[B]CC
InChIInChI=1S/C13H24N2O3.C2H5B/c1-8(2)11(14)12(16)15-7-9-5-3-4-6-10(9)13(17)18;1-2-3/h8-11H,3-7,14H2,1-2H3,(H,15,16)(H,17,18);2H2,1H3
InChIKeyUMQFHLVGOWRQEV-UHFFFAOYSA-N
XLogP1.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79203111
2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 164549534
CID 164549514
CID 164549514
(2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide
CID 79025652
2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 167138546
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
2-[[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164549554
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
2-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 66390159
2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 103795901
2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113426139
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588

Frequently Asked Questions

What is the IUPAC name of CID 164549432?
The IUPAC name of CID 164549432 (CID 164549432) is not available.
What is the SMILES notation for CID 164549432?
The canonical SMILES for CID 164549432 is CC(C)C(N)C(=O)NCC1CCCCC1C(=O)O.[B]CC.
What is the InChIKey of CID 164549432?
The InChIKey is UMQFHLVGOWRQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.C2H5B/c1-8(2)11(14)12(16)15-7-9-5-3-4-6-10(9)13(17)18;1-2-3/h8-11H,3-7,14H2,1-2H3,(H,15,16)(H,17,18);2H2,1H3.
What are the key properties of CID 164549432?
CID 164549432 has a molecular weight of 296.22 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164549432 is sourced from PubChem (CID 164549432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).