(1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate

C17H22ClN5O3 — CID 39968413

IUPAC(1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
SMILESCCCn1nnnc1COC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C17H22ClN5O3/c1-4-9-23-14(20-21-22-23)10-26-17(25)15(11(2)3)19-16(24)12-7-5-6-8-13(12)18/h5-8,11,15H,4,9-10H2,1-3H3,(H,19,24)/t15-/m1/s1
InChIKeyZUWSTYCISLQHOB-OAHLLOKOSA-N
MW379.85 g/mol
LogP2.23
Rot. Bonds8

About (1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate

(1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate (PubChem CID 39968413) has the molecular formula C17H22ClN5O3 and a molecular weight of 379.85 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
PubChem CID39968413
Molecular FormulaC17H22ClN5O3
Molecular Weight379.85 g/mol
Exact Mass379.14
IUPAC Name(1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
SMILESCCCn1nnnc1COC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C17H22ClN5O3/c1-4-9-23-14(20-21-22-23)10-26-17(25)15(11(2)3)19-16(24)12-7-5-6-8-13(12)18/h5-8,11,15H,4,9-10H2,1-3H3,(H,19,24)/t15-/m1/s1
InChIKeyZUWSTYCISLQHOB-OAHLLOKOSA-N
XLogP2.23
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7531702
(1-propyltetrazol-5-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880490
2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide
CID 110870969
(1-propyltetrazol-5-yl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 9019943
(2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 1248820
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7532100
(2-oxo-2-piperidin-1-ylethyl) (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7442821
ethyl 3-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 41294751
(3-fluoro-4-methoxyphenyl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 9491263
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 51580748
2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 47100101
(1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 55396975

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate (CID 39968413) is (1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate is CCCn1nnnc1COC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
The InChIKey is ZUWSTYCISLQHOB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22ClN5O3/c1-4-9-23-14(20-21-22-23)10-26-17(25)15(11(2)3)19-16(24)12-7-5-6-8-13(12)18/h5-8,11,15H,4,9-10H2,1-3H3,(H,19,24)/t15-/m1/s1.
What are the key properties of (1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
(1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate has a molecular weight of 379.85 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 39968413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).