(2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide

C12H24N6O — CID 67291787

IUPAC(2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C12H24N6O/c1-6-8(2)10(13)11(19)14-7-9-15-17-18(16-9)12(3,4)5/h8,10H,6-7,13H2,1-5H3,(H,14,19)/t8?,10-/m0/s1
InChIKeyUCBWIWUJDATMDD-HTLJXXAVSA-N
MW268.37 g/mol
LogP0.42
Rot. Bonds5

About (2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide

(2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide (PubChem CID 67291787) has the molecular formula C12H24N6O and a molecular weight of 268.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide
PubChem CID67291787
Molecular FormulaC12H24N6O
Molecular Weight268.37 g/mol
Exact Mass268.20
IUPAC Name(2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C12H24N6O/c1-6-8(2)10(13)11(19)14-7-9-15-17-18(16-9)12(3,4)5/h8,10H,6-7,13H2,1-5H3,(H,14,19)/t8?,10-/m0/s1
InChIKeyUCBWIWUJDATMDD-HTLJXXAVSA-N
XLogP0.42
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide
CID 68754874
2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 103951204
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide
CID 103813831
2-amino-3-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide;dihydrochloride
CID 119878830
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283871
(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
(2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide
CID 61275748
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide
CID 43515212
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175335
(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
CID 61326563
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide (CID 67291787) is (2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NCc1nnn(C(C)(C)C)n1.
What is the InChIKey of (2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide?
The InChIKey is UCBWIWUJDATMDD-HTLJXXAVSA-N. The full InChI is InChI=1S/C12H24N6O/c1-6-8(2)10(13)11(19)14-7-9-15-17-18(16-9)12(3,4)5/h8,10H,6-7,13H2,1-5H3,(H,14,19)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide?
(2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide has a molecular weight of 268.37 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide is sourced from PubChem (CID 67291787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).