butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate

C15H27N7O3 — CID 68601085

IUPACbutyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCN(C(=O)[C@@H](N)CCc2nnnn2C)CC1
InChIInChI=1S/C15H27N7O3/c1-3-4-11-25-15(24)22-9-7-21(8-10-22)14(23)12(16)5-6-13-17-18-19-20(13)2/h12H,3-11,16H2,1-2H3/t12-/m0/s1
InChIKeyGXDLDVVMHUZCIO-LBPRGKRZSA-N
MW353.43 g/mol
LogP-0.45
Rot. Bonds7

About butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate

butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate (PubChem CID 68601085) has the molecular formula C15H27N7O3 and a molecular weight of 353.43 g/mol. Its IUPAC name is butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate
PubChem CID68601085
Molecular FormulaC15H27N7O3
Molecular Weight353.43 g/mol
Exact Mass353.22
IUPAC Namebutyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCN(C(=O)[C@@H](N)CCc2nnnn2C)CC1
InChIInChI=1S/C15H27N7O3/c1-3-4-11-25-15(24)22-9-7-21(8-10-22)14(23)12(16)5-6-13-17-18-19-20(13)2/h12H,3-11,16H2,1-2H3/t12-/m0/s1
InChIKeyGXDLDVVMHUZCIO-LBPRGKRZSA-N
XLogP-0.45
TPSA119.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate with MolForge

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Related Compounds

butyl 4-(2-amino-4-methoxybutanoyl)piperazine-1-carboxylate
CID 68599877
butyl 4-[(2S)-2-aminobutanoyl]piperazine-1-carboxylate
CID 66713008
butyl 4-(2-aminobutanoyl)piperazine-1-carboxylate
CID 66713009
butyl 4-(2-aminopropanoyl)piperazine-1-carboxylate
CID 66713226
butyl aziridine-1-carboxylate
CID 12641
methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate
CID 93469912
2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
butyl 2-(1-methyltetrazol-5-yl)-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 151135340
ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate
CID 54916787
(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one
CID 93339973
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)hexan-1-one
CID 93315574

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate?
The IUPAC name of butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate (CID 68601085) is butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate.
What is the SMILES notation for butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate?
The canonical SMILES for butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate is CCCCOC(=O)N1CCN(C(=O)[C@@H](N)CCc2nnnn2C)CC1.
What is the InChIKey of butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate?
The InChIKey is GXDLDVVMHUZCIO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N7O3/c1-3-4-11-25-15(24)22-9-7-21(8-10-22)14(23)12(16)5-6-13-17-18-19-20(13)2/h12H,3-11,16H2,1-2H3/t12-/m0/s1.
What are the key properties of butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate?
butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate has a molecular weight of 353.43 g/mol, XLogP of -0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(2S)-2-amino-4-(1-methyltetrazol-5-yl)butanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 68601085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).